2-nitro-N-[(2R)-2-phenylpropyl]benzamide

C16H16N2O3 — CID 679490

IUPAC2-nitro-N-[(2R)-2-phenylpropyl]benzamide
SMILESC[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-12(13-7-3-2-4-8-13)11-17-16(19)14-9-5-6-10-15(14)18(20)21/h2-10,12H,11H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyRGCYEVNRTAUMIZ-LBPRGKRZSA-N
MW284.31 g/mol
LogP3.13
Rot. Bonds5

About 2-nitro-N-[(2R)-2-phenylpropyl]benzamide

2-nitro-N-[(2R)-2-phenylpropyl]benzamide (PubChem CID 679490) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-nitro-N-[(2R)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[(2R)-2-phenylpropyl]benzamide
PubChem CID679490
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-nitro-N-[(2R)-2-phenylpropyl]benzamide
SMILESC[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-12(13-7-3-2-4-8-13)11-17-16(19)14-9-5-6-10-15(14)18(20)21/h2-10,12H,11H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyRGCYEVNRTAUMIZ-LBPRGKRZSA-N
XLogP3.13
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.13
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-nitro-N-[(2R)-2-phenylpropyl]benzamide 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-bromo-2-phenylethyl)-2-nitrobenzamide
CID 114308249
N-(2-amino-2-phenylethyl)-2-nitrobenzamide
CID 63120393
3-methyl-4-[(2-nitrobenzoyl)amino]butanoic acid
CID 81063337
4-methyl-3-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 26778619
N-(2-amino-3-hydroxybutyl)-2-nitrobenzamide
CID 64540819
N-(2-methyl-4-oxobutyl)-2-nitrobenzamide
CID 175276651
2-(methylamino)-5-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 27017917
2-[[(2-nitrobenzoyl)amino]methyl]pentanoic acid
CID 65218323
3-(2-nitrophenyl)-N-(2-phenylpropyl)prop-2-enamide
CID 75127327
2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide
CID 42997705
2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 94671216
2-(ethylamino)-N-(2-phenylpropyl)benzamide
CID 63107799

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(2R)-2-phenylpropyl]benzamide?
The IUPAC name of 2-nitro-N-[(2R)-2-phenylpropyl]benzamide (CID 679490) is 2-nitro-N-[(2R)-2-phenylpropyl]benzamide.
What is the SMILES notation for 2-nitro-N-[(2R)-2-phenylpropyl]benzamide?
The canonical SMILES for 2-nitro-N-[(2R)-2-phenylpropyl]benzamide is C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-nitro-N-[(2R)-2-phenylpropyl]benzamide?
The InChIKey is RGCYEVNRTAUMIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12(13-7-3-2-4-8-13)11-17-16(19)14-9-5-6-10-15(14)18(20)21/h2-10,12H,11H2,1H3,(H,17,19)/t12-/m0/s1.
What are the key properties of 2-nitro-N-[(2R)-2-phenylpropyl]benzamide?
2-nitro-N-[(2R)-2-phenylpropyl]benzamide has a molecular weight of 284.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(2R)-2-phenylpropyl]benzamide is sourced from PubChem (CID 679490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).