N-(3-nitrophenyl)-4-phenylbenzamide

C19H14N2O3 — CID 772418

IUPACN-(3-nitrophenyl)-4-phenylbenzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H14N2O3/c22-19(20-17-7-4-8-18(13-17)21(23)24)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H,(H,20,22)
InChIKeyUNGVGOSZFLIKHH-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.51
Rot. Bonds4

About N-(3-nitrophenyl)-4-phenylbenzamide

N-(3-nitrophenyl)-4-phenylbenzamide (PubChem CID 772418) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(3-nitrophenyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-4-phenylbenzamide
PubChem CID772418
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC NameN-(3-nitrophenyl)-4-phenylbenzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H14N2O3/c22-19(20-17-7-4-8-18(13-17)21(23)24)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H,(H,20,22)
InChIKeyUNGVGOSZFLIKHH-UHFFFAOYSA-N
XLogP4.51
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.51
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-(3-nitrophenyl)-4-phenylbenzamide?
The IUPAC name of N-(3-nitrophenyl)-4-phenylbenzamide (CID 772418) is N-(3-nitrophenyl)-4-phenylbenzamide.
What is the SMILES notation for N-(3-nitrophenyl)-4-phenylbenzamide?
The canonical SMILES for N-(3-nitrophenyl)-4-phenylbenzamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(3-nitrophenyl)-4-phenylbenzamide?
The InChIKey is UNGVGOSZFLIKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-19(20-17-7-4-8-18(13-17)21(23)24)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H,(H,20,22).
What are the key properties of N-(3-nitrophenyl)-4-phenylbenzamide?
N-(3-nitrophenyl)-4-phenylbenzamide has a molecular weight of 318.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-4-phenylbenzamide is sourced from PubChem (CID 772418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).