3-nitro-N-(1-phenylethyl)benzamide

C15H14N2O3 — CID 2827658

IUPAC3-nitro-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c1-11(12-6-3-2-4-7-12)16-15(18)13-8-5-9-14(10-13)17(19)20/h2-11H,1H3,(H,16,18)
InChIKeyHYYSQFKMJYMIOP-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.09
Rot. Bonds4

About 3-nitro-N-(1-phenylethyl)benzamide

3-nitro-N-(1-phenylethyl)benzamide (PubChem CID 2827658) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-nitro-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(1-phenylethyl)benzamide
PubChem CID2827658
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-nitro-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c1-11(12-6-3-2-4-7-12)16-15(18)13-8-5-9-14(10-13)17(19)20/h2-11H,1H3,(H,16,18)
InChIKeyHYYSQFKMJYMIOP-UHFFFAOYSA-N
XLogP3.09
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.09
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-nitro-N-(1-phenylethyl)benzamide (CID 2827658) is 3-nitro-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-nitro-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-nitro-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 3-nitro-N-(1-phenylethyl)benzamide?
The InChIKey is HYYSQFKMJYMIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-11(12-6-3-2-4-7-12)16-15(18)13-8-5-9-14(10-13)17(19)20/h2-11H,1H3,(H,16,18).
What are the key properties of 3-nitro-N-(1-phenylethyl)benzamide?
3-nitro-N-(1-phenylethyl)benzamide has a molecular weight of 270.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 2827658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).