N-[2-(4-nitrophenyl)ethyl]benzamide

C15H14N2O3 — CID 913108

IUPACN-[2-(4-nitrophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c18-15(13-4-2-1-3-5-13)16-11-10-12-6-8-14(9-7-12)17(19)20/h1-9H,10-11H2,(H,16,18)
InChIKeyXTKJFYIJGQVOMT-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(4-nitrophenyl)ethyl]benzamide

N-[2-(4-nitrophenyl)ethyl]benzamide (PubChem CID 913108) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]benzamide
PubChem CID913108
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[2-(4-nitrophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c18-15(13-4-2-1-3-5-13)16-11-10-12-6-8-14(9-7-12)17(19)20/h1-9H,10-11H2,(H,16,18)
InChIKeyXTKJFYIJGQVOMT-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]benzamide?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]benzamide (CID 913108) is N-[2-(4-nitrophenyl)ethyl]benzamide.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]benzamide?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]benzamide is O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]benzamide?
The InChIKey is XTKJFYIJGQVOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(13-4-2-1-3-5-13)16-11-10-12-6-8-14(9-7-12)17(19)20/h1-9H,10-11H2,(H,16,18).
What are the key properties of N-[2-(4-nitrophenyl)ethyl]benzamide?
N-[2-(4-nitrophenyl)ethyl]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 N-[2-(4-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 913108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).