N-[cyano(phenyl)methyl]-4-methylbenzamide

C16H14N2O — CID 10399858

IUPACN-[cyano(phenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C#N)c2ccccc2)cc1
InChIInChI=1S/C16H14N2O/c1-12-7-9-14(10-8-12)16(19)18-15(11-17)13-5-3-2-4-6-13/h2-10,15H,1H3,(H,18,19)
InChIKeyMIVJEMLKESDEFD-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.99
Rot. Bonds3

About N-[cyano(phenyl)methyl]-4-methylbenzamide

N-[cyano(phenyl)methyl]-4-methylbenzamide (PubChem CID 10399858) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-4-methylbenzamide
PubChem CID10399858
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-[cyano(phenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C#N)c2ccccc2)cc1
InChIInChI=1S/C16H14N2O/c1-12-7-9-14(10-8-12)16(19)18-15(11-17)13-5-3-2-4-6-13/h2-10,15H,1H3,(H,18,19)
InChIKeyMIVJEMLKESDEFD-UHFFFAOYSA-N
XLogP2.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-[cyano(phenyl)methyl]benzamide
CID 60659354
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
N-[cyano-(4-fluorophenyl)methyl]benzamide
CID 78631246
N-[cyano(phenyl)methyl]-2-methylbenzamide
CID 60659356
N-[cyano(furan-2-yl)methyl]-4-methylbenzamide
CID 13075830
N-[cyano-(4-methylphenyl)methyl]-3-fluorobenzamide
CID 82123290
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
N-[cyano-(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 110664180
N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide
CID 110664187
2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide
CID 103605980

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]-4-methylbenzamide?
The IUPAC name of N-[cyano(phenyl)methyl]-4-methylbenzamide (CID 10399858) is N-[cyano(phenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-4-methylbenzamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C#N)c2ccccc2)cc1.
What is the InChIKey of N-[cyano(phenyl)methyl]-4-methylbenzamide?
The InChIKey is MIVJEMLKESDEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-7-9-14(10-8-12)16(19)18-15(11-17)13-5-3-2-4-6-13/h2-10,15H,1H3,(H,18,19).
What are the key properties of N-[cyano(phenyl)methyl]-4-methylbenzamide?
N-[cyano(phenyl)methyl]-4-methylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 10399858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).