2-nitro-N-(2-phenylethyl)benzamide

C15H14N2O3 — CID 720792

IUPAC2-nitro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c18-15(13-8-4-5-9-14(13)17(19)20)16-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,18)
InChIKeyLZACRFHFFFAFSW-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.57
Rot. Bonds5

About 2-nitro-N-(2-phenylethyl)benzamide

2-nitro-N-(2-phenylethyl)benzamide (PubChem CID 720792) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-nitro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-nitro-N-(2-phenylethyl)benzamide
PubChem CID720792
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-nitro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c18-15(13-8-4-5-9-14(13)17(19)20)16-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,18)
InChIKeyLZACRFHFFFAFSW-UHFFFAOYSA-N
XLogP2.57
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.57
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-(2-phenylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-nitro-N-(2-phenylethyl)benzamide (CID 720792) is 2-nitro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-nitro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-nitro-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-(2-phenylethyl)benzamide?
The InChIKey is LZACRFHFFFAFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(13-8-4-5-9-14(13)17(19)20)16-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,18).
What are the key properties of 2-nitro-N-(2-phenylethyl)benzamide?
2-nitro-N-(2-phenylethyl)benzamide has a molecular weight of 270.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 720792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).