3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide

C14H7ClF2N2O — CID 81484638

IUPAC3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H7ClF2N2O/c15-11-6-8(1-3-12(11)17)14(20)19-13-4-2-10(16)5-9(13)7-18/h1-6H,(H,19,20)
InChIKeyNTXFLFJGOKVBSE-UHFFFAOYSA-N
MW292.67 g/mol
LogP3.74
Rot. Bonds2

About 3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide

3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide (PubChem CID 81484638) has the molecular formula C14H7ClF2N2O and a molecular weight of 292.67 g/mol. Its IUPAC name is 3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
PubChem CID81484638
Molecular FormulaC14H7ClF2N2O
Molecular Weight292.67 g/mol
Exact Mass292.02
IUPAC Name3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H7ClF2N2O/c15-11-6-8(1-3-12(11)17)14(20)19-13-4-2-10(16)5-9(13)7-18/h1-6H,(H,19,20)
InChIKeyNTXFLFJGOKVBSE-UHFFFAOYSA-N
XLogP3.74
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.67
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide
CID 82015912
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
CID 82016640
2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 103739886
N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
CID 113264517
N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
CID 60628744
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79954013
N-(2-cyano-4-fluorophenyl)furan-3-carboxamide
CID 79954360

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide (CID 81484638) is 3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide is N#Cc1cc(F)ccc1NC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide?
The InChIKey is NTXFLFJGOKVBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N2O/c15-11-6-8(1-3-12(11)17)14(20)19-13-4-2-10(16)5-9(13)7-18/h1-6H,(H,19,20).
What are the key properties of 3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide?
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide has a molecular weight of 292.67 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 81484638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).