3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide

C18H21ClN2O — CID 120608860

IUPAC3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)CCc1ccccc1N
InChIInChI=1S/C18H21ClN2O/c1-13(15-7-5-8-16(19)12-15)21(2)18(22)11-10-14-6-3-4-9-17(14)20/h3-9,12-13H,10-11,20H2,1-2H3
InChIKeyZRFWCWYLSYBTDA-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.07
Rot. Bonds5

About 3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide

3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide (PubChem CID 120608860) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide
PubChem CID120608860
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)CCc1ccccc1N
InChIInChI=1S/C18H21ClN2O/c1-13(15-7-5-8-16(19)12-15)21(2)18(22)11-10-14-6-3-4-9-17(14)20/h3-9,12-13H,10-11,20H2,1-2H3
InChIKeyZRFWCWYLSYBTDA-UHFFFAOYSA-N
XLogP4.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide 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-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608510
3-(2-aminophenyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608425
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505
3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120609150
(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
CID 61157254
2-amino-6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzamide
CID 63659864
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
N-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 55595194
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 120609034
N-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 55580379
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 120611042

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide (CID 120608860) is 3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide is CC(c1cccc(Cl)c1)N(C)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide?
The InChIKey is ZRFWCWYLSYBTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13(15-7-5-8-16(19)12-15)21(2)18(22)11-10-14-6-3-4-9-17(14)20/h3-9,12-13H,10-11,20H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide?
3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide has a molecular weight of 316.83 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 120608860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).