(4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate

C16H13Cl2NO3 — CID 7900882

IUPAC(4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate
SMILESO=C(CCNC(=O)c1ccccc1Cl)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2NO3/c17-11-5-7-12(8-6-11)22-15(20)9-10-19-16(21)13-3-1-2-4-14(13)18/h1-8H,9-10H2,(H,19,21)
InChIKeyHVGKMAVUFGFHMW-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.72
Rot. Bonds5

About (4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate

(4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate (PubChem CID 7900882) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is (4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name(4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate
PubChem CID7900882
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name(4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate
SMILESO=C(CCNC(=O)c1ccccc1Cl)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2NO3/c17-11-5-7-12(8-6-11)22-15(20)9-10-19-16(21)13-3-1-2-4-14(13)18/h1-8H,9-10H2,(H,19,21)
InChIKeyHVGKMAVUFGFHMW-UHFFFAOYSA-N
XLogP3.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-chlorophenyl) 3-[(2-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

(4-chlorophenyl) (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7900869
2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate
CID 32510530
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
pentyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716440
decyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716594
[4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate
CID 26682865
2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide
CID 7962772
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
4-[(2-chlorobenzoyl)amino]butanoate
CID 7024884

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate?
The IUPAC name of (4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate (CID 7900882) is (4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for (4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate?
The canonical SMILES for (4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate is O=C(CCNC(=O)c1ccccc1Cl)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate?
The InChIKey is HVGKMAVUFGFHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c17-11-5-7-12(8-6-11)22-15(20)9-10-19-16(21)13-3-1-2-4-14(13)18/h1-8H,9-10H2,(H,19,21).
What are the key properties of (4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate?
(4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate has a molecular weight of 338.19 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 7900882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).