N-[cyano(phenyl)methyl]-2-methylbenzamide

C16H14N2O — CID 60659356

IUPACN-[cyano(phenyl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-12-7-5-6-10-14(12)16(19)18-15(11-17)13-8-3-2-4-9-13/h2-10,15H,1H3,(H,18,19)
InChIKeyJHDZVLLETPCHLS-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.99
Rot. Bonds3

About N-[cyano(phenyl)methyl]-2-methylbenzamide

N-[cyano(phenyl)methyl]-2-methylbenzamide (PubChem CID 60659356) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-2-methylbenzamide
PubChem CID60659356
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-[cyano(phenyl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-12-7-5-6-10-14(12)16(19)18-15(11-17)13-8-3-2-4-9-13/h2-10,15H,1H3,(H,18,19)
InChIKeyJHDZVLLETPCHLS-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

N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide
CID 60659253
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide
CID 685432
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
CID 51940796
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946
4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide
CID 60717552
ethyl N-[cyano(phenyl)methyl]carbamate
CID 60763548
4-cyano-N-[cyano(phenyl)methyl]benzamide
CID 60659354
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]-2-methylbenzamide?
The IUPAC name of N-[cyano(phenyl)methyl]-2-methylbenzamide (CID 60659356) is N-[cyano(phenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(C#N)c1ccccc1.
What is the InChIKey of N-[cyano(phenyl)methyl]-2-methylbenzamide?
The InChIKey is JHDZVLLETPCHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-7-5-6-10-14(12)16(19)18-15(11-17)13-8-3-2-4-9-13/h2-10,15H,1H3,(H,18,19).
What are the key properties of N-[cyano(phenyl)methyl]-2-methylbenzamide?
N-[cyano(phenyl)methyl]-2-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]-2-methylbenzamide is sourced from PubChem (CID 60659356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).