3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide

C19H18N2O — CID 86956050

IUPAC3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
SMILESCC1CC1C(NC(=O)c1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C19H18N2O/c1-13-10-17(13)18(15-7-3-2-4-8-15)21-19(22)16-9-5-6-14(11-16)12-20/h2-9,11,13,17-18H,10H2,1H3,(H,21,22)
InChIKeyGCMXKTMXWMBXBM-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.69
Rot. Bonds4

About 3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide

3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide (PubChem CID 86956050) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
PubChem CID86956050
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
SMILESCC1CC1C(NC(=O)c1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C19H18N2O/c1-13-10-17(13)18(15-7-3-2-4-8-15)21-19(22)16-9-5-6-14(11-16)12-20/h2-9,11,13,17-18H,10H2,1H3,(H,21,22)
InChIKeyGCMXKTMXWMBXBM-UHFFFAOYSA-N
XLogP3.69
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[(2-methylcyclopropyl)-phenylmethyl]carbamoyl]benzoate
CID 86956101
N-[(2-methylcyclopropyl)-phenylmethyl]-3-nitrobenzamide
CID 86956169
3-cyano-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8797978
[(2S)-2-[(3-cyanobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8937133
3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
CID 51547056
3-cyano-N-[(1R)-1-cyclopropylethyl]benzamide
CID 51547055
3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 28831529
3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide
CID 24961543
3-cyano-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 35905657
2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956041
3-[(3-cyanobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 81361638
4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956089

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
The IUPAC name of 3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide (CID 86956050) is 3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
The canonical SMILES for 3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide is CC1CC1C(NC(=O)c1cccc(C#N)c1)c1ccccc1.
What is the InChIKey of 3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
The InChIKey is GCMXKTMXWMBXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-10-17(13)18(15-7-3-2-4-8-15)21-19(22)16-9-5-6-14(11-16)12-20/h2-9,11,13,17-18H,10H2,1H3,(H,21,22).
What are the key properties of 3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide has a molecular weight of 290.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide is sourced from PubChem (CID 86956050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).