[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate

C18H17ClN2O4 — CID 9015149

IUPAC[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O4/c1-2-17(23)25-11-16(22)21-15-6-4-3-5-14(15)18(24)20-13-9-7-12(19)8-10-13/h3-10H,2,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyXOIWTTPGPRUGAC-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.48
Rot. Bonds6

About [2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate

[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate (PubChem CID 9015149) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is [2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate
PubChem CID9015149
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O4/c1-2-17(23)25-11-16(22)21-15-6-4-3-5-14(15)18(24)20-13-9-7-12(19)8-10-13/h3-10H,2,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyXOIWTTPGPRUGAC-UHFFFAOYSA-N
XLogP3.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] 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

trans-[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 9230641
N-(4-chlorophenyl)-2-[(2-phenylmethoxyacetyl)amino]benzamide
CID 55466370
[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate
CID 9015181
N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
CID 4941967
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate
CID 7265956
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 41080941
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132
N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide
CID 142083334
N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825949
propyl 2-[(4-chlorophenyl)carbamoyl]benzoate
CID 71387076
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-(4-methoxyphenyl)acetate
CID 8011578
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
CID 8606761

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate?
The IUPAC name of [2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate (CID 9015149) is [2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate.
What is the SMILES notation for [2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate?
The canonical SMILES for [2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate is CCC(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate?
The InChIKey is XOIWTTPGPRUGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-2-17(23)25-11-16(22)21-15-6-4-3-5-14(15)18(24)20-13-9-7-12(19)8-10-13/h3-10H,2,11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of [2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate?
[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate has a molecular weight of 360.80 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate is sourced from PubChem (CID 9015149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).