2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide

C26H26Cl2N4O3 — CID 70424425

IUPAC2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide
SMILESCCCNC(=O)N(c1ccc(Cl)cc1)c1c(C)cc(NC(=O)NC(=O)c2ccccc2Cl)cc1C
InChIInChI=1S/C26H26Cl2N4O3/c1-4-13-29-26(35)32(20-11-9-18(27)10-12-20)23-16(2)14-19(15-17(23)3)30-25(34)31-24(33)21-7-5-6-8-22(21)28/h5-12,14-15H,4,13H2,1-3H3,(H,29,35)(H2,30,31,33,34)
InChIKeyJRWUFURGLGBOHL-UHFFFAOYSA-N
MW513.43 g/mol
LogP6.83
Rot. Bonds6

About 2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide

2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide (PubChem CID 70424425) has the molecular formula C26H26Cl2N4O3 and a molecular weight of 513.43 g/mol. Its IUPAC name is 2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide
PubChem CID70424425
Molecular FormulaC26H26Cl2N4O3
Molecular Weight513.43 g/mol
Exact Mass512.14
IUPAC Name2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide
SMILESCCCNC(=O)N(c1ccc(Cl)cc1)c1c(C)cc(NC(=O)NC(=O)c2ccccc2Cl)cc1C
InChIInChI=1S/C26H26Cl2N4O3/c1-4-13-29-26(35)32(20-11-9-18(27)10-12-20)23-16(2)14-19(15-17(23)3)30-25(34)31-24(33)21-7-5-6-8-22(21)28/h5-12,14-15H,4,13H2,1-3H3,(H,29,35)(H2,30,31,33,34)
InChIKeyJRWUFURGLGBOHL-UHFFFAOYSA-N
XLogP6.83
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.43
LogP ≤ 56.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]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-[[3,5-dichloro-4-[methyl(prop-2-enyl)amino]phenyl]carbamoyl]benzamide
CID 54527720
2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide
CID 13186097
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
2-chloro-N-[[4-[4-(4-chlorophenyl)sulfinyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide
CID 67654120
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-2-chlorobenzamide
CID 78874678
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2-(2,4-dichlorophenoxy)-N-[(3,5-dichlorophenyl)carbamoyl]benzamide
CID 2805241
2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide
CID 19072978
N'-(2-chlorobenzoyl)-N-(4-chlorophenyl)oxamide
CID 2726843
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfonylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19073005
2-chloro-N-[(3-chloro-4-phenylphenyl)carbamoyl]benzamide
CID 134092649

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide (CID 70424425) is 2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide is CCCNC(=O)N(c1ccc(Cl)cc1)c1c(C)cc(NC(=O)NC(=O)c2ccccc2Cl)cc1C.
What is the InChIKey of 2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide?
The InChIKey is JRWUFURGLGBOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O3/c1-4-13-29-26(35)32(20-11-9-18(27)10-12-20)23-16(2)14-19(15-17(23)3)30-25(34)31-24(33)21-7-5-6-8-22(21)28/h5-12,14-15H,4,13H2,1-3H3,(H,29,35)(H2,30,31,33,34).
What are the key properties of 2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide?
2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide has a molecular weight of 513.43 g/mol, XLogP of 6.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide is sourced from PubChem (CID 70424425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).