ethyl 2-(4-chloroanilino)propanoate

C11H14ClNO2 — CID 13138189

IUPACethyl 2-(4-chloroanilino)propanoate
SMILESCCOC(=O)C(C)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-3-15-11(14)8(2)13-10-6-4-9(12)5-7-10/h4-8,13H,3H2,1-2H3
InChIKeyOMYQCODIMZACEZ-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.70
Rot. Bonds4

About ethyl 2-(4-chloroanilino)propanoate

ethyl 2-(4-chloroanilino)propanoate (PubChem CID 13138189) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is ethyl 2-(4-chloroanilino)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-chloroanilino)propanoate
PubChem CID13138189
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Nameethyl 2-(4-chloroanilino)propanoate
SMILESCCOC(=O)C(C)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-3-15-11(14)8(2)13-10-6-4-9(12)5-7-10/h4-8,13H,3H2,1-2H3
InChIKeyOMYQCODIMZACEZ-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(4-chloroanilino)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

N-Phenylglycine ethyl ester
CID 75190
3-(4-Chloroanilino)propanoic acid
CID 2727812
Ethyl N-(3,4-dichlorophenyl)alaninate
CID 169545
2-((4-Chlorophenyl)amino)acetic acid
CID 230717
Ethyl 2-[(3-chlorophenyl)amino]acetate
CID 302656
2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
CID 3115307
Isopropyl 2-((3-chloro-4-fluorophenyl)amino)propanoate
CID 2771937
Ethyl 2-(phenylamino)propanoate
CID 296040
2-Phenylamino-malonic acid diethyl ester
CID 299984
(3-Chloroanilino)acetic acid
CID 3780319
Methyl 2-(phenylamino)acetate
CID 571509
Glycine, N-(4-chlorophenyl)-, ethyl ester
CID 302644

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloroanilino)propanoate?
The IUPAC name of ethyl 2-(4-chloroanilino)propanoate (CID 13138189) is ethyl 2-(4-chloroanilino)propanoate.
What is the SMILES notation for ethyl 2-(4-chloroanilino)propanoate?
The canonical SMILES for ethyl 2-(4-chloroanilino)propanoate is CCOC(=O)C(C)Nc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chloroanilino)propanoate?
The InChIKey is OMYQCODIMZACEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-15-11(14)8(2)13-10-6-4-9(12)5-7-10/h4-8,13H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-chloroanilino)propanoate?
ethyl 2-(4-chloroanilino)propanoate has a molecular weight of 227.69 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloroanilino)propanoate is sourced from PubChem (CID 13138189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).