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

C16H17ClN2O — CID 62499997

IUPAC2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1cccc(N)c1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-11(14-7-2-3-8-15(14)17)19-16(20)10-12-5-4-6-13(18)9-12/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyZWNGPAJYHCMXKU-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.34
Rot. Bonds4

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

2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide (PubChem CID 62499997) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide
PubChem CID62499997
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1cccc(N)c1)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-11(14-7-2-3-8-15(14)17)19-16(20)10-12-5-4-6-13(18)9-12/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyZWNGPAJYHCMXKU-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.34
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-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
CID 81380692
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide
CID 62504759
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94459377
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000
2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
CID 113484647
2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 106343741
methyl 2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 55083996
2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772390

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide (CID 62499997) is 2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide is CC(NC(=O)Cc1cccc(N)c1)c1ccccc1Cl.
What is the InChIKey of 2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide?
The InChIKey is ZWNGPAJYHCMXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11(14-7-2-3-8-15(14)17)19-16(20)10-12-5-4-6-13(18)9-12/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide?
2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide has a molecular weight of 288.78 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 62499997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).