N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide

C17H16N2O — CID 2429232

IUPACN-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(CCC#N)C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O/c1-14-8-10-16(11-9-14)19(13-5-12-18)17(20)15-6-3-2-4-7-15/h2-4,6-11H,5,13H2,1H3
InChIKeyYAWYINLTOAQKCO-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.56
Rot. Bonds4

About N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide

N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide (PubChem CID 2429232) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
PubChem CID2429232
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(CCC#N)C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O/c1-14-8-10-16(11-9-14)19(13-5-12-18)17(20)15-6-3-2-4-7-15/h2-4,6-11H,5,13H2,1H3
InChIKeyYAWYINLTOAQKCO-UHFFFAOYSA-N
XLogP3.56
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide
CID 24702771
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] pyridine-3-carboxylate
CID 9413645
3-(N-[2-(4-methylphenyl)-2-oxoethyl]anilino)propanenitrile
CID 62050959
methyl 3-[2-cyanoethyl-(3-methylphenyl)carbamoyl]benzoate
CID 47092177
4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide
CID 62679271
[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 3-cyanobenzoate
CID 2627241
N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide
CID 24708338
N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide
CID 65153086
N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 7466907
N,N-bis(2-cyanoethyl)-3-methylbenzamide
CID 2204619
3-bromo-N-(2-cyanoethyl)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 122145067

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide?
The IUPAC name of N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide (CID 2429232) is N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide is Cc1ccc(N(CCC#N)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide?
The InChIKey is YAWYINLTOAQKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-14-8-10-16(11-9-14)19(13-5-12-18)17(20)15-6-3-2-4-7-15/h2-4,6-11H,5,13H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide?
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide has a molecular weight of 264.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 2429232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).