Acetamide, N-(4-bromophenyl)-2,2-dichloro-
PubChem CID
532122
Structure
Molecular Formula
Synonyms
- Acetamide, N-(4-bromophenyl)-2,2-dichloro-
- N-(4-bromophenyl)-2,2-dichloroacetamide
- 17102-23-7
- DTXSID50336306
- CHEMBL1240999
Molecular Weight
282.95 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
N-(4-bromophenyl)-2,2-dichloroacetamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C8H6BrCl2NO/c9-5-1-3-6(4-2-5)12-8(13)7(10)11/h1-4,7H,(H,12,13)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
JCMYDJFPADBOJV-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC(=CC=C1NC(=O)C(Cl)Cl)Br
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C8H6BrCl2NO
Computed by PubChem 2.2 (PubChem release 2021.10.14)
17102-23-7
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
282.95 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
3.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
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
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
280.90098 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
280.90098 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
29.1 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
181
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)
Semi-standard non-polar
1800
NIST Number
307301
Library
Main library
Total Peaks
106
m/z Top Peak
200
m/z 2nd Highest
198
m/z 3rd Highest
283
Thumbnail
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Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=JCMYDJFPADBOJV-UHFFFAOYSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- EPA DSSToxAcetamide, N-(4-bromophenyl)-2,2-dichloro-https://comptox.epa.gov/dashboard/DTXSID50336306
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawAcetamide, N-(4-bromophenyl)-2,2-dichloro-http://www.nist.gov/srd/nist1a.cfm
- SpectraBase4'-BROMO-2,2-DICHLOROACETANILIDEhttps://spectrabase.com/spectrum/HRcYQ0HOiEq4'-bromo-2,2-dichloroacetanilidehttps://spectrabase.com/spectrum/JAoqTeRMn1g4'-BROMO-2,2-DICHLOROACETANILIDEhttps://spectrabase.com/spectrum/2W2nWegaDVj4'-bromo-2,2-dichloroacetanilidehttps://spectrabase.com/spectrum/JMb4Fq0GvPA
- WikidataAcetamide, N-(4-bromophenyl)-2,2-dichloro-https://www.wikidata.org/wiki/Q82103312
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 396228788https://pubchem.ncbi.nlm.nih.gov/substance/396228788
CONTENTS