N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide

C14H7F3N2O — CID 43580325

IUPACN-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide
SMILESN#Cc1c(F)cccc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H7F3N2O/c15-8-4-5-9(12(17)6-8)14(20)19-13-3-1-2-11(16)10(13)7-18/h1-6H,(H,19,20)
InChIKeyFKNXGAUBKUKYOS-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.23
Rot. Bonds2

About N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide

N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide (PubChem CID 43580325) has the molecular formula C14H7F3N2O and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide
PubChem CID43580325
Molecular FormulaC14H7F3N2O
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC NameN-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide
SMILESN#Cc1c(F)cccc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H7F3N2O/c15-8-4-5-9(12(17)6-8)14(20)19-13-3-1-2-11(16)10(13)7-18/h1-6H,(H,19,20)
InChIKeyFKNXGAUBKUKYOS-UHFFFAOYSA-N
XLogP3.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
N-(2-cyano-3-fluorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660264
N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 115659818
2-bromo-N-(2-cyano-3-fluorophenyl)-5-sulfanylbenzamide
CID 107023196
2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide
CID 106852092
3-bromo-2-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103988714
2,4-difluoro-N-naphthalen-1-ylbenzamide
CID 2981920
2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide
CID 43580726
N-(2-cyano-3-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 43580332
2-bromo-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
CID 43580467
2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
CID 60954359
6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 62232716

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide (CID 43580325) is N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide is N#Cc1c(F)cccc1NC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide?
The InChIKey is FKNXGAUBKUKYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O/c15-8-4-5-9(12(17)6-8)14(20)19-13-3-1-2-11(16)10(13)7-18/h1-6H,(H,19,20).
What are the key properties of N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide?
N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide has a molecular weight of 276.22 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 43580325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).