2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide

C18H18ClN3O3 — CID 38107413

IUPAC2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-22(2)18(25)12-7-9-13(10-8-12)21-16(23)11-20-17(24)14-5-3-4-6-15(14)19/h3-10H,11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyZTOVZPJHQDOIKW-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.41
Rot. Bonds5

About 2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide

2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide (PubChem CID 38107413) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide
PubChem CID38107413
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-22(2)18(25)12-7-9-13(10-8-12)21-16(23)11-20-17(24)14-5-3-4-6-15(14)19/h3-10H,11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyZTOVZPJHQDOIKW-UHFFFAOYSA-N
XLogP2.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]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

2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
CID 9411490
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
CID 38107976
4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 2631997
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
2-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405069
tert-butyl N-[2-[4-[(2-chlorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916913
2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide
CID 26954210
4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 42069174
N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815122
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 38105972

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide (CID 38107413) is 2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide is CN(C)C(=O)c1ccc(NC(=O)CNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide?
The InChIKey is ZTOVZPJHQDOIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-22(2)18(25)12-7-9-13(10-8-12)21-16(23)11-20-17(24)14-5-3-4-6-15(14)19/h3-10H,11H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide has a molecular weight of 359.81 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 38107413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).