N-benzyl-4-cyano-2,6-difluorobenzamide

C15H10F2N2O — CID 130162116

IUPACN-benzyl-4-cyano-2,6-difluorobenzamide
SMILESN#Cc1cc(F)c(C(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C15H10F2N2O/c16-12-6-11(8-18)7-13(17)14(12)15(20)19-9-10-4-2-1-3-5-10/h1-7H,9H2,(H,19,20)
InChIKeyNJKIGZJKGITEPS-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.77
Rot. Bonds3

About N-benzyl-4-cyano-2,6-difluorobenzamide

N-benzyl-4-cyano-2,6-difluorobenzamide (PubChem CID 130162116) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is N-benzyl-4-cyano-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-benzyl-4-cyano-2,6-difluorobenzamide
PubChem CID130162116
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC NameN-benzyl-4-cyano-2,6-difluorobenzamide
SMILESN#Cc1cc(F)c(C(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C15H10F2N2O/c16-12-6-11(8-18)7-13(17)14(12)15(20)19-9-10-4-2-1-3-5-10/h1-7H,9H2,(H,19,20)
InChIKeyNJKIGZJKGITEPS-UHFFFAOYSA-N
XLogP2.77
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82797784
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60817211
2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359520
4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
CID 71922134
4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide
CID 2987506
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
N-[[3-(bromomethyl)phenyl]methyl]-2,6-difluorobenzamide
CID 114313059
N-benzyl-4-cyano-1H-pyrrole-3-carboxamide
CID 59478029
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-cyano-2,6-difluorobenzamide?
The IUPAC name of N-benzyl-4-cyano-2,6-difluorobenzamide (CID 130162116) is N-benzyl-4-cyano-2,6-difluorobenzamide.
What is the SMILES notation for N-benzyl-4-cyano-2,6-difluorobenzamide?
The canonical SMILES for N-benzyl-4-cyano-2,6-difluorobenzamide is N#Cc1cc(F)c(C(=O)NCc2ccccc2)c(F)c1.
What is the InChIKey of N-benzyl-4-cyano-2,6-difluorobenzamide?
The InChIKey is NJKIGZJKGITEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c16-12-6-11(8-18)7-13(17)14(12)15(20)19-9-10-4-2-1-3-5-10/h1-7H,9H2,(H,19,20).
What are the key properties of N-benzyl-4-cyano-2,6-difluorobenzamide?
N-benzyl-4-cyano-2,6-difluorobenzamide has a molecular weight of 272.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-cyano-2,6-difluorobenzamide is sourced from PubChem (CID 130162116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).