N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide

C23H20Cl2N2O3 — CID 70702231

IUPACN-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)Cc2cccc(Cl)c2NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20Cl2N2O3/c1-27(23(29)16-5-3-7-19(13-16)30-2)14-17-6-4-8-20(25)21(17)26-22(28)15-9-11-18(24)12-10-15/h3-13H,14H2,1-2H3,(H,26,28)
InChIKeyJWPJVRDPRJOODE-UHFFFAOYSA-N
MW443.33 g/mol
LogP5.53
Rot. Bonds6

About N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide

N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide (PubChem CID 70702231) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide
PubChem CID70702231
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC NameN-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)Cc2cccc(Cl)c2NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20Cl2N2O3/c1-27(23(29)16-5-3-7-19(13-16)30-2)14-17-6-4-8-20(25)21(17)26-22(28)15-9-11-18(24)12-10-15/h3-13H,14H2,1-2H3,(H,26,28)
InChIKeyJWPJVRDPRJOODE-UHFFFAOYSA-N
XLogP5.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-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-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide
CID 70702238
N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide
CID 66553142
N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
CID 19368031
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
CID 107046812
N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112790356
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221595
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
[2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate
CID 1217731

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide (CID 70702231) is N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)Cc2cccc(Cl)c2NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide?
The InChIKey is JWPJVRDPRJOODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-27(23(29)16-5-3-7-19(13-16)30-2)14-17-6-4-8-20(25)21(17)26-22(28)15-9-11-18(24)12-10-15/h3-13H,14H2,1-2H3,(H,26,28).
What are the key properties of N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide?
N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide has a molecular weight of 443.33 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 70702231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).