N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide

C19H23ClN2O2 — CID 109033241

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide
SMILESCCOc1ccc(NCCC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-2-24-18-8-6-17(7-9-18)21-13-11-19(23)22-12-10-15-4-3-5-16(20)14-15/h3-9,14,21H,2,10-13H2,1H3,(H,22,23)
InChIKeyZMVPICNVTUVBDA-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.90
Rot. Bonds9

About N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide

N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide (PubChem CID 109033241) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide
PubChem CID109033241
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide
SMILESCCOc1ccc(NCCC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-2-24-18-8-6-17(7-9-18)21-13-11-19(23)22-12-10-15-4-3-5-16(20)14-15/h3-9,14,21H,2,10-13H2,1H3,(H,22,23)
InChIKeyZMVPICNVTUVBDA-UHFFFAOYSA-N
XLogP3.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide 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

3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
CID 109033211
N-[2-(3-chlorophenyl)ethyl]-3-(3,4-dimethoxyanilino)propanamide
CID 109033247
methyl 3-[[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109033256
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 109033251
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide
CID 109033246
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973017
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-ethoxyphenyl)sulfanylacetate
CID 8564969
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide (CID 109033241) is N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide is CCOc1ccc(NCCC(=O)NCCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide?
The InChIKey is ZMVPICNVTUVBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-2-24-18-8-6-17(7-9-18)21-13-11-19(23)22-12-10-15-4-3-5-16(20)14-15/h3-9,14,21H,2,10-13H2,1H3,(H,22,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide?
N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide has a molecular weight of 346.86 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide is sourced from PubChem (CID 109033241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).