[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate

C19H18Cl2N2O4 — CID 7827357

IUPAC[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESCc1ccc(NC(=O)COC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C19H18Cl2N2O4/c1-12-2-7-15(10-16(12)21)23-17(24)11-27-18(25)8-9-22-19(26)13-3-5-14(20)6-4-13/h2-7,10H,8-9,11H2,1H3,(H,22,26)(H,23,24)
InChIKeyQAVQRNCEQPXQBC-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.60
Rot. Bonds7

About [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate (PubChem CID 7827357) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
PubChem CID7827357
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESCc1ccc(NC(=O)COC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C19H18Cl2N2O4/c1-12-2-7-15(10-16(12)21)23-17(24)11-27-18(25)8-9-22-19(26)13-3-5-14(20)6-4-13/h2-7,10H,8-9,11H2,1H3,(H,22,26)(H,23,24)
InChIKeyQAVQRNCEQPXQBC-UHFFFAOYSA-N
XLogP3.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]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

[2-(3-methylanilino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 78762583
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750926
4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
CID 7934807
[2-(2-methylsulfanylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827400
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841565
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2665844
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 30051564
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191702
[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827367
[2-(cyclopropylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827370
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633182
[2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 4795054

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate (CID 7827357) is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate is Cc1ccc(NC(=O)COC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The InChIKey is QAVQRNCEQPXQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-12-2-7-15(10-16(12)21)23-17(24)11-27-18(25)8-9-22-19(26)13-3-5-14(20)6-4-13/h2-7,10H,8-9,11H2,1H3,(H,22,26)(H,23,24).
What are the key properties of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate has a molecular weight of 409.27 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 7827357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).