2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide

C14H7ClF2N2O — CID 82016640

IUPAC2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H7ClF2N2O/c15-10-2-1-3-11(17)13(10)14(20)19-12-5-4-9(16)6-8(12)7-18/h1-6H,(H,19,20)
InChIKeyVRWAEOWHBAEPHA-UHFFFAOYSA-N
MW292.67 g/mol
LogP3.74
Rot. Bonds2

About 2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide

2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide (PubChem CID 82016640) has the molecular formula C14H7ClF2N2O and a molecular weight of 292.67 g/mol. Its IUPAC name is 2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
PubChem CID82016640
Molecular FormulaC14H7ClF2N2O
Molecular Weight292.67 g/mol
Exact Mass292.02
IUPAC Name2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H7ClF2N2O/c15-10-2-1-3-11(17)13(10)14(20)19-12-5-4-9(16)6-8(12)7-18/h1-6H,(H,19,20)
InChIKeyVRWAEOWHBAEPHA-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

N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide
CID 82707621
N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 82683757
2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
3-chloro-N-(2-cyano-4-fluorophenyl)-4-hydroxybenzamide
CID 82015912
N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 82682867
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide
CID 39184030
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 103739886
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide (CID 82016640) is 2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide is N#Cc1cc(F)ccc1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide?
The InChIKey is VRWAEOWHBAEPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N2O/c15-10-2-1-3-11(17)13(10)14(20)19-12-5-4-9(16)6-8(12)7-18/h1-6H,(H,19,20).
What are the key properties of 2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide?
2-chloro-N-(2-cyano-4-fluorophenyl)-6-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 2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide is sourced from PubChem (CID 82016640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).