2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide

C20H13N3O3 — CID 32989896

IUPAC2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H13N3O3/c21-13-14-6-1-2-9-17(14)18-10-3-4-11-19(18)20(24)22-15-7-5-8-16(12-15)23(25)26/h1-12H,(H,22,24)
InChIKeyQQJSJPRKVIRYQX-UHFFFAOYSA-N
MW343.34 g/mol
LogP4.39
Rot. Bonds4

About 2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide

2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide (PubChem CID 32989896) has the molecular formula C20H13N3O3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide
PubChem CID32989896
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
Exact Mass343.10
IUPAC Name2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H13N3O3/c21-13-14-6-1-2-9-17(14)18-10-3-4-11-19(18)20(24)22-15-7-5-8-16(12-15)23(25)26/h1-12H,(H,22,24)
InChIKeyQQJSJPRKVIRYQX-UHFFFAOYSA-N
XLogP4.39
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate
CID 27846126
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
N-(4-acetamidophenyl)-2-(2-cyanophenyl)benzamide
CID 27843811
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
2-(2-cyanophenyl)-N-pyridin-3-ylbenzamide
CID 51255858
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-nitrophenyl)benzamide
CID 2044985
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 16960210
[2-[(3-nitrophenyl)carbamoyl]phenyl] acetate
CID 3365473
2-cyano-N-(3-nitrophenyl)-2-phenylacetamide
CID 62877185

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide (CID 32989896) is 2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide is N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide?
The InChIKey is QQJSJPRKVIRYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3/c21-13-14-6-1-2-9-17(14)18-10-3-4-11-19(18)20(24)22-15-7-5-8-16(12-15)23(25)26/h1-12H,(H,22,24).
What are the key properties of 2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide?
2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide has a molecular weight of 343.34 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 32989896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).