2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide

C16H16N2O3 — CID 2726136

IUPAC2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-12(14-5-3-2-4-6-14)17-16(19)11-13-7-9-15(10-8-13)18(20)21/h2-10,12H,11H2,1H3,(H,17,19)
InChIKeyAMZSUPNYNMANGW-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.01
Rot. Bonds5

About 2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide

2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide (PubChem CID 2726136) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
PubChem CID2726136
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-12(14-5-3-2-4-6-14)17-16(19)11-13-7-9-15(10-8-13)18(20)21/h2-10,12H,11H2,1H3,(H,17,19)
InChIKeyAMZSUPNYNMANGW-UHFFFAOYSA-N
XLogP3.01
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide 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

2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7770587
N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 46513490
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 9366397
2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide
CID 7890378
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
(4-nitrophenyl)methyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 78765354
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(4-nitrophenyl)acetamide
CID 79247463
N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
CID 43297246
2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide
CID 63589427
N-(4-methylpent-1-yn-3-yl)-2-(4-nitrophenyl)acetamide
CID 114202473

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide (CID 2726136) is 2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide is CC(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide?
The InChIKey is AMZSUPNYNMANGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12(14-5-3-2-4-6-14)17-16(19)11-13-7-9-15(10-8-13)18(20)21/h2-10,12H,11H2,1H3,(H,17,19).
What are the key properties of 2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide?
2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide has a molecular weight of 284.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2726136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).