4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide

C15H10F2N2O — CID 69070072

IUPAC4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCc2c(F)cccc2F)cc1
InChIInChI=1S/C15H10F2N2O/c16-13-2-1-3-14(17)12(13)9-19-15(20)11-6-4-10(8-18)5-7-11/h1-7H,9H2,(H,19,20)
InChIKeyCQHTWTDLDDBQOL-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.77
Rot. Bonds3

About 4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide

4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide (PubChem CID 69070072) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is 4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide
PubChem CID69070072
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCc2c(F)cccc2F)cc1
InChIInChI=1S/C15H10F2N2O/c16-13-2-1-3-14(17)12(13)9-19-15(20)11-6-4-10(8-18)5-7-11/h1-7H,9H2,(H,19,20)
InChIKeyCQHTWTDLDDBQOL-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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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide?
The IUPAC name of 4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide (CID 69070072) is 4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide is N#Cc1ccc(C(=O)NCc2c(F)cccc2F)cc1.
What is the InChIKey of 4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide?
The InChIKey is CQHTWTDLDDBQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c16-13-2-1-3-14(17)12(13)9-19-15(20)11-6-4-10(8-18)5-7-11/h1-7H,9H2,(H,19,20).
What are the key properties of 4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide?
4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide 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 4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide is sourced from PubChem (CID 69070072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).