4-chloro-N-(2-cyano-4-fluorophenyl)benzamide

C14H8ClFN2O — CID 79946601

IUPAC4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H8ClFN2O/c15-11-3-1-9(2-4-11)14(19)18-13-6-5-12(16)7-10(13)8-17/h1-7H,(H,18,19)
InChIKeyJTCNTBNQPBDDJO-UHFFFAOYSA-N
MW274.68 g/mol
LogP3.60
Rot. Bonds2

About 4-chloro-N-(2-cyano-4-fluorophenyl)benzamide

4-chloro-N-(2-cyano-4-fluorophenyl)benzamide (PubChem CID 79946601) has the molecular formula C14H8ClFN2O and a molecular weight of 274.68 g/mol. Its IUPAC name is 4-chloro-N-(2-cyano-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
PubChem CID79946601
Molecular FormulaC14H8ClFN2O
Molecular Weight274.68 g/mol
Exact Mass274.03
IUPAC Name4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H8ClFN2O/c15-11-3-1-9(2-4-11)14(19)18-13-6-5-12(16)7-10(13)8-17/h1-7H,(H,18,19)
InChIKeyJTCNTBNQPBDDJO-UHFFFAOYSA-N
XLogP3.60
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide
CID 82015912
N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
CID 60628744
2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 103739886
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
CID 82016640
N-(2-cyano-4-fluorophenyl)furan-3-carboxamide
CID 79954360
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 79954178
N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79954013

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyano-4-fluorophenyl)benzamide?
The IUPAC name of 4-chloro-N-(2-cyano-4-fluorophenyl)benzamide (CID 79946601) is 4-chloro-N-(2-cyano-4-fluorophenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-cyano-4-fluorophenyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-cyano-4-fluorophenyl)benzamide is N#Cc1cc(F)ccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-cyano-4-fluorophenyl)benzamide?
The InChIKey is JTCNTBNQPBDDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O/c15-11-3-1-9(2-4-11)14(19)18-13-6-5-12(16)7-10(13)8-17/h1-7H,(H,18,19).
What are the key properties of 4-chloro-N-(2-cyano-4-fluorophenyl)benzamide?
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide has a molecular weight of 274.68 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyano-4-fluorophenyl)benzamide is sourced from PubChem (CID 79946601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).