methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate

C18H17Cl2NO4 — CID 134015725

IUPACmethyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)c1cccc(Cl)c1Cl)c1ccc(OC)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-24-12-8-6-11(7-9-12)15(10-16(22)25-2)21-18(23)13-4-3-5-14(19)17(13)20/h3-9,15H,10H2,1-2H3,(H,21,23)
InChIKeyPEKJVZFWYRQATH-UHFFFAOYSA-N
MW382.24 g/mol
LogP4.04
Rot. Bonds6

About methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate

methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 134015725) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
PubChem CID134015725
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Namemethyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)c1cccc(Cl)c1Cl)c1ccc(OC)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-24-12-8-6-11(7-9-12)15(10-16(22)25-2)21-18(23)13-4-3-5-14(19)17(13)20/h3-9,15H,10H2,1-2H3,(H,21,23)
InChIKeyPEKJVZFWYRQATH-UHFFFAOYSA-N
XLogP4.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate 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

methyl 3-[(2-bromo-5-methoxybenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 55369954
methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
CID 40813309
2,3-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]benzamide
CID 4882899
methyl 3-[(3-chloro-2-methylbenzoyl)amino]-3-pyridin-4-ylpropanoate
CID 119050142
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 42160727
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
(4-chlorophenyl) (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7900869
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
methyl 3-[(2-bromobenzoyl)amino]-3-(2-chlorophenyl)propanoate
CID 51256783

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate (CID 134015725) is methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate is COC(=O)CC(NC(=O)c1cccc(Cl)c1Cl)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is PEKJVZFWYRQATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-24-12-8-6-11(7-9-12)15(10-16(22)25-2)21-18(23)13-4-3-5-14(19)17(13)20/h3-9,15H,10H2,1-2H3,(H,21,23).
What are the key properties of methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 382.24 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 134015725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).