N-(2-ethylphenyl)-4-nitrobenzamide

C15H14N2O3 — CID 791934

IUPACN-(2-ethylphenyl)-4-nitrobenzamide
SMILESCCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O3/c1-2-11-5-3-4-6-14(11)16-15(18)12-7-9-13(10-8-12)17(19)20/h3-10H,2H2,1H3,(H,16,18)
InChIKeyICDCIUPEPWYOPN-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.41
Rot. Bonds4

About N-(2-ethylphenyl)-4-nitrobenzamide

N-(2-ethylphenyl)-4-nitrobenzamide (PubChem CID 791934) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-nitrobenzamide
PubChem CID791934
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(2-ethylphenyl)-4-nitrobenzamide
SMILESCCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O3/c1-2-11-5-3-4-6-14(11)16-15(18)12-7-9-13(10-8-12)17(19)20/h3-10H,2H2,1H3,(H,16,18)
InChIKeyICDCIUPEPWYOPN-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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-ethylphenyl)-4-nitrobenzamide?
The IUPAC name of N-(2-ethylphenyl)-4-nitrobenzamide (CID 791934) is N-(2-ethylphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(2-ethylphenyl)-4-nitrobenzamide is CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-nitrobenzamide?
The InChIKey is ICDCIUPEPWYOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-11-5-3-4-6-14(11)16-15(18)12-7-9-13(10-8-12)17(19)20/h3-10H,2H2,1H3,(H,16,18).
What are the key properties of N-(2-ethylphenyl)-4-nitrobenzamide?
N-(2-ethylphenyl)-4-nitrobenzamide has a molecular weight of 270.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 791934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).