N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide

C17H17N3O — CID 62983461

IUPACN-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
SMILESCN(C)c1cccc(C(=O)N(C)c2ccc(C#N)cc2)c1
InChIInChI=1S/C17H17N3O/c1-19(2)16-6-4-5-14(11-16)17(21)20(3)15-9-7-13(12-18)8-10-15/h4-11H,1-3H3
InChIKeyJLVUKXHWSXBTJB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.90
Rot. Bonds3

About N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide

N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide (PubChem CID 62983461) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
PubChem CID62983461
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
SMILESCN(C)c1cccc(C(=O)N(C)c2ccc(C#N)cc2)c1
InChIInChI=1S/C17H17N3O/c1-19(2)16-6-4-5-14(11-16)17(21)20(3)15-9-7-13(12-18)8-10-15/h4-11H,1-3H3
InChIKeyJLVUKXHWSXBTJB-UHFFFAOYSA-N
XLogP2.90
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide 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-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide
CID 107028997
N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide
CID 62982758
N-(4-cyanophenyl)-N-methyl-3-nitrobenzamide
CID 62983456
3,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62981026
N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide
CID 43275421
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
(4-cyanophenyl)methyl 3-(dimethylamino)benzoate
CID 2673278
4-bromo-N-(4-cyanophenyl)-N,3-dimethylbenzamide
CID 115772398
N-(4-cyanophenyl)-N-methylpyridazine-4-carboxamide
CID 104670312
3-cyano-N-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 99829830
N-(5-cyano-2-pyridinyl)-3-(dimethylamino)benzamide
CID 62354745

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide (CID 62983461) is N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide is CN(C)c1cccc(C(=O)N(C)c2ccc(C#N)cc2)c1.
What is the InChIKey of N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide?
The InChIKey is JLVUKXHWSXBTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-19(2)16-6-4-5-14(11-16)17(21)20(3)15-9-7-13(12-18)8-10-15/h4-11H,1-3H3.
What are the key properties of N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide?
N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide is sourced from PubChem (CID 62983461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).