N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide

C19H23ClN2O — CID 109033211

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
SMILESCc1cc(C)cc(NCCC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O/c1-14-10-15(2)12-18(11-14)21-9-7-19(23)22-8-6-16-4-3-5-17(20)13-16/h3-5,10-13,21H,6-9H2,1-2H3,(H,22,23)
InChIKeyQOKVYZYVADRQHA-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.12
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide

N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide (PubChem CID 109033211) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
PubChem CID109033211
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
SMILESCc1cc(C)cc(NCCC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O/c1-14-10-15(2)12-18(11-14)21-9-7-19(23)22-8-6-16-4-3-5-17(20)13-16/h3-5,10-13,21H,6-9H2,1-2H3,(H,22,23)
InChIKeyQOKVYZYVADRQHA-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)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

N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide
CID 109006812
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 109033251
methyl 3-[[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109033256
N-[2-(3-chlorophenyl)ethyl]-3-(3,4-dimethoxyanilino)propanamide
CID 109033247
N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide
CID 109033241
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide
CID 109006882
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide
CID 109033275
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
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-(3,5-dimethylanilino)propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide (CID 109033211) is N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide is Cc1cc(C)cc(NCCC(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide?
The InChIKey is QOKVYZYVADRQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-14-10-15(2)12-18(11-14)21-9-7-19(23)22-8-6-16-4-3-5-17(20)13-16/h3-5,10-13,21H,6-9H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide?
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide has a molecular weight of 330.86 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide is sourced from PubChem (CID 109033211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).