2-nitro-6-phenylbenzamide

C13H10N2O3 — CID 139649407

IUPAC2-nitro-6-phenylbenzamide
SMILESNC(=O)c1c(-c2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O3/c14-13(16)12-10(9-5-2-1-3-6-9)7-4-8-11(12)15(17)18/h1-8H,(H2,14,16)
InChIKeyOAFIPLJBHVHJIX-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.36
Rot. Bonds3

About 2-nitro-6-phenylbenzamide

2-nitro-6-phenylbenzamide (PubChem CID 139649407) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-nitro-6-phenylbenzamide.

Molecular Properties

Compound Name2-nitro-6-phenylbenzamide
PubChem CID139649407
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name2-nitro-6-phenylbenzamide
SMILESNC(=O)c1c(-c2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O3/c14-13(16)12-10(9-5-2-1-3-6-9)7-4-8-11(12)15(17)18/h1-8H,(H2,14,16)
InChIKeyOAFIPLJBHVHJIX-UHFFFAOYSA-N
XLogP2.36
TPSA86.23 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 ≤ 52.36
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

azanium 2-carbamoyl-3-nitrobenzoate
CID 22626949
2-carbamothioyl-3-(2-nitrophenyl)benzamide
CID 87377878
sodium;2,6-dinitrobenzoic acid;sulfanide
CID 174749266
methane;2-nitro-6-phenylaniline;N-(2-nitro-6-phenylphenyl)acetamide
CID 159190796
2-(bromomethyl)-1-nitro-3-phenylbenzene
CID 14317416
1-N-methyl-3-nitrobenzene-1,2-dicarboxamide
CID 156773626
1-nitro-2-phenylbenzene;pyridine
CID 174774599
2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide
CID 71188447
3-hydroxy-6-phenylbenzene-1,2-dicarboxamide
CID 68648251
N-(2-nitrophenyl)-2-phenyl-6-(4-phenylphenyl)aniline
CID 177082964
2-carbamoyl-3-phenylbenzoic acid;ethanamine
CID 175433924
carbamic acid;nitrobenzene
CID 66874578

Frequently Asked Questions

What is the IUPAC name of 2-nitro-6-phenylbenzamide?
The IUPAC name of 2-nitro-6-phenylbenzamide (CID 139649407) is 2-nitro-6-phenylbenzamide.
What is the SMILES notation for 2-nitro-6-phenylbenzamide?
The canonical SMILES for 2-nitro-6-phenylbenzamide is NC(=O)c1c(-c2ccccc2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-6-phenylbenzamide?
The InChIKey is OAFIPLJBHVHJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c14-13(16)12-10(9-5-2-1-3-6-9)7-4-8-11(12)15(17)18/h1-8H,(H2,14,16).
What are the key properties of 2-nitro-6-phenylbenzamide?
2-nitro-6-phenylbenzamide has a molecular weight of 242.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-6-phenylbenzamide is sourced from PubChem (CID 139649407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).