2-nitro-N-(4-phenylphenyl)benzamide

C19H14N2O3 — CID 3096329

IUPAC2-nitro-N-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H14N2O3/c22-19(17-8-4-5-9-18(17)21(23)24)20-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,20,22)
InChIKeyMQTDUPJURCHSSF-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.51
Rot. Bonds4

About 2-nitro-N-(4-phenylphenyl)benzamide

2-nitro-N-(4-phenylphenyl)benzamide (PubChem CID 3096329) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-nitro-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name2-nitro-N-(4-phenylphenyl)benzamide
PubChem CID3096329
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-nitro-N-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H14N2O3/c22-19(17-8-4-5-9-18(17)21(23)24)20-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,20,22)
InChIKeyMQTDUPJURCHSSF-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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Related Compounds

2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
N-(4-formylphenyl)-2-nitrobenzamide
CID 25179247
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate
CID 54714318
3-deuterio-2-nitro-N-phenylbenzamide
CID 175816152
2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986151
2,3-dinitro-N-phenylbenzamide
CID 18931494
N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
2-methyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 779960
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
CID 64786319

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(4-phenylphenyl)benzamide?
The IUPAC name of 2-nitro-N-(4-phenylphenyl)benzamide (CID 3096329) is 2-nitro-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 2-nitro-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 2-nitro-N-(4-phenylphenyl)benzamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-(4-phenylphenyl)benzamide?
The InChIKey is MQTDUPJURCHSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-19(17-8-4-5-9-18(17)21(23)24)20-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,20,22).
What are the key properties of 2-nitro-N-(4-phenylphenyl)benzamide?
2-nitro-N-(4-phenylphenyl)benzamide 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 2-nitro-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 3096329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).