Benzamide, 2-chloro-N,N-dimethyl-
PubChem CID
81012
Structure
Molecular Formula
Synonyms
- 2-Chloro-N,N-dimethylbenzamide
- 6526-67-6
- 2-Chloro-N,N-Dimethyl-Benzamide
- Benzamide, 2-chloro-N,N-dimethyl-
- o-Chloro-N,N-dimethylbenzamide
Molecular Weight
183.63 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-18
Chemical Structure Depiction
2-chloro-N,N-dimethylbenzamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C9H10ClNO/c1-11(2)9(12)7-5-3-4-6-8(7)10/h3-6H,1-2H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
SZUQPOLAEFBJJH-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CN(C)C(=O)C1=CC=CC=C1Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C9H10ClNO
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 2-Chloro-N,N-dimethylbenzamide
- 6526-67-6
- 2-Chloro-N,N-Dimethyl-Benzamide
- Benzamide, 2-chloro-N,N-dimethyl-
- o-Chloro-N,N-dimethylbenzamide
- N,N-Dimethyl-2-chlorobenzamide
- Benzamide, o-chloro-N,N-dimethyl-
- DTXSID20215573
- NSC 405477
- NSC405477
- SCHEMBL255022
- DTXCID50138064
- MFCD00463636
- AKOS003556768
- NSC-405477
- Z32014275
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
183.63 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
0.9
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
183.0450916 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
183.0450916 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
20.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
12
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
170
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
NIST Number
340308
Library
Main library
Total Peaks
33
m/z Top Peak
139
m/z 2nd Highest
182
m/z 3rd Highest
141
Thumbnail
NIST Number
29755
Library
Replicate library
Total Peaks
24
m/z Top Peak
139
m/z 2nd Highest
182
m/z 3rd Highest
141
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=SZUQPOLAEFBJJH-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Benzamide, 2-chloro-N,N-dimethyl-https://commonchemistry.cas.org/detail?cas_rn=6526-67-6
- ChemIDplusBenzamide, 2-chloro-N,N-dimethyl-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0006526676ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse2-Chloro-N,N-dimethylbenzamidehttps://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=405477
- EPA DSSToxBenzamide, 2-chloro-N,N-dimethyl-https://comptox.epa.gov/dashboard/DTXSID20215573
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawBenzamide, 2-chloro-N,N-dimethyl-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseBenzamide, 2-chloro-N,N-dimethyl-https://spectrabase.com/spectrum/BfRnc6zzJG02-CHLORO-N,N-DIMETHYLBENZAMIDEhttps://spectrabase.com/spectrum/1Yts2hzMLAO2-CHLORO-N,N-DIMETHYLBENZAMIDEhttps://spectrabase.com/spectrum/2JoDCgMTPnU2-CHLOR-N,N-DIMETHYLBENZAMIDEhttps://spectrabase.com/spectrum/8wB0mHHcDdJ2-CHLOR-N,N-DIMETHYLBENZAMIDEhttps://spectrabase.com/spectrum/K8Uaq9aScWF
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- WikidataBenzamide, 2-chloro-N,N-dimethyl-https://www.wikidata.org/wiki/Q83091628
- PubChem
- PATENTSCOPE (WIPO)SID 388479776https://pubchem.ncbi.nlm.nih.gov/substance/388479776
CONTENTS