4-cyano-N-[(2-fluorophenyl)methyl]benzamide

C15H11FN2O — CID 4798282

IUPAC4-cyano-N-[(2-fluorophenyl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C15H11FN2O/c16-14-4-2-1-3-13(14)10-18-15(19)12-7-5-11(9-17)6-8-12/h1-8H,10H2,(H,18,19)
InChIKeyXFGSZIHYIFUJJD-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.63
Rot. Bonds3

About 4-cyano-N-[(2-fluorophenyl)methyl]benzamide

4-cyano-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 4798282) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-cyano-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID4798282
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name4-cyano-N-[(2-fluorophenyl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C15H11FN2O/c16-14-4-2-1-3-13(14)10-18-15(19)12-7-5-11(9-17)6-8-12/h1-8H,10H2,(H,18,19)
InChIKeyXFGSZIHYIFUJJD-UHFFFAOYSA-N
XLogP2.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide
CID 69070072
4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109047977
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
1-N-[(2-chlorophenyl)methyl]-4-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109047331
4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8968920
N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
CID 63359701
4-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53082300
2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide
CID 34141400
4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211244

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-cyano-N-[(2-fluorophenyl)methyl]benzamide (CID 4798282) is 4-cyano-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-[(2-fluorophenyl)methyl]benzamide is N#Cc1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 4-cyano-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is XFGSZIHYIFUJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-14-4-2-1-3-13(14)10-18-15(19)12-7-5-11(9-17)6-8-12/h1-8H,10H2,(H,18,19).
What are the key properties of 4-cyano-N-[(2-fluorophenyl)methyl]benzamide?
4-cyano-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 254.26 g/mol, XLogP of 2.63, 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-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 4798282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).