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

C15H11FN2O — CID 78631246

IUPACN-[cyano-(4-fluorophenyl)methyl]benzamide
SMILESN#CC(NC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H11FN2O/c16-13-8-6-11(7-9-13)14(10-17)18-15(19)12-4-2-1-3-5-12/h1-9,14H,(H,18,19)
InChIKeyDZLUDEPWMMXZBN-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.82
Rot. Bonds3

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

N-[cyano-(4-fluorophenyl)methyl]benzamide (PubChem CID 78631246) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is N-[cyano-(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[cyano-(4-fluorophenyl)methyl]benzamide
PubChem CID78631246
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC NameN-[cyano-(4-fluorophenyl)methyl]benzamide
SMILESN#CC(NC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H11FN2O/c16-13-8-6-11(7-9-13)14(10-17)18-15(19)12-4-2-1-3-5-12/h1-9,14H,(H,18,19)
InChIKeyDZLUDEPWMMXZBN-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano-(4-fluorophenyl)methyl]-3-methylbenzamide
CID 78631291
N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 9246130
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
4-cyano-N-[cyano(phenyl)methyl]benzamide
CID 60659354
N-[cyano-(4-methylphenyl)methyl]-3-fluorobenzamide
CID 82123290
N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
CID 82123285
1-[cyano(phenyl)methyl]-3-(4-fluorophenyl)urea
CID 60706067
(E)-N-[(S)-cyano-(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 9246098
2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide
CID 9246207
N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9246301
2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile
CID 43334212
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(4-fluorophenyl)methyl]benzamide?
The IUPAC name of N-[cyano-(4-fluorophenyl)methyl]benzamide (CID 78631246) is N-[cyano-(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-[cyano-(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-[cyano-(4-fluorophenyl)methyl]benzamide is N#CC(NC(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[cyano-(4-fluorophenyl)methyl]benzamide?
The InChIKey is DZLUDEPWMMXZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-13-8-6-11(7-9-13)14(10-17)18-15(19)12-4-2-1-3-5-12/h1-9,14H,(H,18,19).
What are the key properties of N-[cyano-(4-fluorophenyl)methyl]benzamide?
N-[cyano-(4-fluorophenyl)methyl]benzamide has a molecular weight of 254.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 78631246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).