2-(cyanomethyl)-N-(3-fluorophenyl)benzamide

C15H11FN2O — CID 82179597

IUPAC2-(cyanomethyl)-N-(3-fluorophenyl)benzamide
SMILESN#CCc1ccccc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H11FN2O/c16-12-5-3-6-13(10-12)18-15(19)14-7-2-1-4-11(14)8-9-17/h1-7,10H,8H2,(H,18,19)
InChIKeyKJZHINVSNYKHFN-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.14
Rot. Bonds3

About 2-(cyanomethyl)-N-(3-fluorophenyl)benzamide

2-(cyanomethyl)-N-(3-fluorophenyl)benzamide (PubChem CID 82179597) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-(cyanomethyl)-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-(cyanomethyl)-N-(3-fluorophenyl)benzamide
PubChem CID82179597
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name2-(cyanomethyl)-N-(3-fluorophenyl)benzamide
SMILESN#CCc1ccccc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H11FN2O/c16-12-5-3-6-13(10-12)18-15(19)14-7-2-1-4-11(14)8-9-17/h1-7,10H,8H2,(H,18,19)
InChIKeyKJZHINVSNYKHFN-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyanomethyl)-N-[4-(diethylamino)phenyl]benzamide
CID 94806407
4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide
CID 11232437
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050202
2,3-dichloro-N-(3-fluorophenyl)benzamide
CID 802685
3-cyano-N-(3-fluorophenyl)propanamide
CID 82111905
2-fluoro-N-(3-fluorophenyl)-5-(hydroxyamino)benzamide
CID 163637360
N-(3-fluorophenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 38269111
N-(3-fluorophenyl)-2-phenoxybenzamide
CID 876611
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
2-[[2-(cyanomethyl)benzoyl]amino]acetic acid
CID 82179055
2-(fluoromethyl)-N-phenylbenzamide
CID 141101349

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-N-(3-fluorophenyl)benzamide?
The IUPAC name of 2-(cyanomethyl)-N-(3-fluorophenyl)benzamide (CID 82179597) is 2-(cyanomethyl)-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 2-(cyanomethyl)-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 2-(cyanomethyl)-N-(3-fluorophenyl)benzamide is N#CCc1ccccc1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(cyanomethyl)-N-(3-fluorophenyl)benzamide?
The InChIKey is KJZHINVSNYKHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-5-3-6-13(10-12)18-15(19)14-7-2-1-4-11(14)8-9-17/h1-7,10H,8H2,(H,18,19).
What are the key properties of 2-(cyanomethyl)-N-(3-fluorophenyl)benzamide?
2-(cyanomethyl)-N-(3-fluorophenyl)benzamide has a molecular weight of 254.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 82179597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).