2-fluoro-N-(4-fluorophenyl)benzamide
PubChem CID
531933
Structure
Molecular Formula
Synonyms
- 2-fluoro-N-(4-fluorophenyl)benzamide
- 294849-21-1
- Benzamide, 2-fluoro-N-(4-fluorophenyl)-
- DTXSID50336285
- Benzamide, N-(4-fluorophenyl)-2-fluoro-
Molecular Weight
233.21 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
2-fluoro-N-(4-fluorophenyl)benzamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C13H9F2NO/c14-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)15/h1-8H,(H,16,17)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
YSRSFSHRXSKXNN-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)F)F
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C13H9F2NO
Computed by PubChem 2.2 (PubChem release 2021.10.14)
294849-21-1
- 2-fluoro-N-(4-fluorophenyl)benzamide
- 294849-21-1
- Benzamide, 2-fluoro-N-(4-fluorophenyl)-
- DTXSID50336285
- Benzamide, N-(4-fluorophenyl)-2-fluoro-
- 2-fluoro-N-(4-fluorophenyl)benzenecarboxamide
- Cambridge id 5136696
- MLS000532707
- SCHEMBL6295702
- CHEMBL1530397
- DTXCID00287374
- YSRSFSHRXSKXNN-UHFFFAOYSA-N
- HMS2499F14
- MFCD00439086
- AKOS002958704
- MS-0043
- 5136-69-6
- SMR000140145
- CS-0335996
- AN-652/05797026
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
233.21 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
3.3
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
3
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
233.06522023 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
233.06522023 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
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
264
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
1817
NIST Number
307079
Library
Main library
Total Peaks
30
m/z Top Peak
123
m/z 2nd Highest
233
m/z 3rd Highest
95
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.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=YSRSFSHRXSKXNN-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 DSSTox2-fluoro-N-(4-fluorophenyl)benzamidehttps://comptox.epa.gov/dashboard/DTXSID50336285CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawBenzamide, N-(4-fluorophenyl)-2-fluoro-http://www.nist.gov/srd/nist1a.cfm
- Wikidata2-fluoro-N-(4-fluorophenyl)benzamidehttps://www.wikidata.org/wiki/Q82103275
- PubChemPFAS and Fluorinated Compounds in PubChemhttps://gitlab.com/uniluxembourg/lcsb/eci/pubchem-docs/-/raw/main/pfas-tree/PFAS_Tree.pdf?inline=false
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 390377761https://pubchem.ncbi.nlm.nih.gov/substance/390377761
CONTENTS