N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide

C17H16N2O — CID 60659253

IUPACN-[cyano(phenyl)methyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(C#N)c2ccccc2)c1C
InChIInChI=1S/C17H16N2O/c1-12-7-6-10-15(13(12)2)17(20)19-16(11-18)14-8-4-3-5-9-14/h3-10,16H,1-2H3,(H,19,20)
InChIKeyFQLSPQPQUKHVEF-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.30
Rot. Bonds3

About N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide

N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide (PubChem CID 60659253) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-2,3-dimethylbenzamide
PubChem CID60659253
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-[cyano(phenyl)methyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(C#N)c2ccccc2)c1C
InChIInChI=1S/C17H16N2O/c1-12-7-6-10-15(13(12)2)17(20)19-16(11-18)14-8-4-3-5-9-14/h3-10,16H,1-2H3,(H,19,20)
InChIKeyFQLSPQPQUKHVEF-UHFFFAOYSA-N
XLogP3.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano(phenyl)methyl]-2-methylbenzamide
CID 60659356
N-(1-cyanoethyl)-2,3-dimethylbenzamide
CID 61121435
(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
CID 30123282
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
3-(2,3-dimethylphenyl)-3-oxo-2-phenylpropanenitrile
CID 43333825
N-[2-(dimethylamino)-1-phenylethyl]-2,3-dimethylbenzamide
CID 78819640
2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide
CID 685432
N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
CID 11558867
N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
CID 59347868
N-but-3-yn-2-yl-2,3-dimethylbenzamide
CID 114389941
ethane;N,2,3-trimethylbenzamide
CID 178108869

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide (CID 60659253) is N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NC(C#N)c2ccccc2)c1C.
What is the InChIKey of N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide?
The InChIKey is FQLSPQPQUKHVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-7-6-10-15(13(12)2)17(20)19-16(11-18)14-8-4-3-5-9-14/h3-10,16H,1-2H3,(H,19,20).
What are the key properties of N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide?
N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide has a molecular weight of 264.33 g/mol, XLogP of 3.30, 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]-2,3-dimethylbenzamide is sourced from PubChem (CID 60659253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).