2-nitro-N-phenylbenzamide

C13H10N2O3 — CID 720051

IUPAC2-nitro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O3/c16-13(14-10-6-2-1-3-7-10)11-8-4-5-9-12(11)15(17)18/h1-9H,(H,14,16)
InChIKeyRNFCQIOHQPIUOI-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.85
Rot. Bonds3

About 2-nitro-N-phenylbenzamide

2-nitro-N-phenylbenzamide (PubChem CID 720051) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-nitro-N-phenylbenzamide.

Molecular Properties

Compound Name2-nitro-N-phenylbenzamide
PubChem CID720051
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name2-nitro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O3/c16-13(14-10-6-2-1-3-7-10)11-8-4-5-9-12(11)15(17)18/h1-9H,(H,14,16)
InChIKeyRNFCQIOHQPIUOI-UHFFFAOYSA-N
XLogP2.85
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.85
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 2-nitro-N-phenylbenzamide?
The IUPAC name of 2-nitro-N-phenylbenzamide (CID 720051) is 2-nitro-N-phenylbenzamide.
What is the SMILES notation for 2-nitro-N-phenylbenzamide?
The canonical SMILES for 2-nitro-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-phenylbenzamide?
The InChIKey is RNFCQIOHQPIUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-13(14-10-6-2-1-3-7-10)11-8-4-5-9-12(11)15(17)18/h1-9H,(H,14,16).
What are the key properties of 2-nitro-N-phenylbenzamide?
2-nitro-N-phenylbenzamide has a molecular weight of 242.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-phenylbenzamide is sourced from PubChem (CID 720051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).