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

C17H19ClN2O — CID 107273000

IUPAC3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccccc1N)c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12(14-7-3-4-8-15(14)18)20-17(21)11-10-13-6-2-5-9-16(13)19/h2-9,12H,10-11,19H2,1H3,(H,20,21)
InChIKeyONYVVCZEEYSXHF-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.73
Rot. Bonds5

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

3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide (PubChem CID 107273000) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
PubChem CID107273000
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccccc1N)c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12(14-7-3-4-8-15(14)18)20-17(21)11-10-13-6-2-5-9-16(13)19/h2-9,12H,10-11,19H2,1H3,(H,20,21)
InChIKeyONYVVCZEEYSXHF-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273267
3-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81378925
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
CID 51041452
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide
CID 120610293
methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 120610292
3-(2-aminophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 107329630
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide (CID 107273000) is 3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide is CC(NC(=O)CCc1ccccc1N)c1ccccc1Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide?
The InChIKey is ONYVVCZEEYSXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(14-7-3-4-8-15(14)18)20-17(21)11-10-13-6-2-5-9-16(13)19/h2-9,12H,10-11,19H2,1H3,(H,20,21).
What are the key properties of 3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide?
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide has a molecular weight of 302.81 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 107273000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).