4-chloro-3-nitro-N-(2-phenylphenyl)benzamide

C19H13ClN2O3 — CID 2547821

IUPAC4-chloro-3-nitro-N-(2-phenylphenyl)benzamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H13ClN2O3/c20-16-11-10-14(12-18(16)22(24)25)19(23)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-12H,(H,21,23)
InChIKeyUTHMQVBZJBCBED-UHFFFAOYSA-N
MW352.78 g/mol
LogP5.17
Rot. Bonds4

About 4-chloro-3-nitro-N-(2-phenylphenyl)benzamide

4-chloro-3-nitro-N-(2-phenylphenyl)benzamide (PubChem CID 2547821) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 4-chloro-3-nitro-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-nitro-N-(2-phenylphenyl)benzamide
PubChem CID2547821
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name4-chloro-3-nitro-N-(2-phenylphenyl)benzamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H13ClN2O3/c20-16-11-10-14(12-18(16)22(24)25)19(23)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-12H,(H,21,23)
InChIKeyUTHMQVBZJBCBED-UHFFFAOYSA-N
XLogP5.17
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.78
LogP ≤ 55.17
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 4-chloro-3-nitro-N-(2-phenylphenyl)benzamide?
The IUPAC name of 4-chloro-3-nitro-N-(2-phenylphenyl)benzamide (CID 2547821) is 4-chloro-3-nitro-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-nitro-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-nitro-N-(2-phenylphenyl)benzamide is O=C(Nc1ccccc1-c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3-nitro-N-(2-phenylphenyl)benzamide?
The InChIKey is UTHMQVBZJBCBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-16-11-10-14(12-18(16)22(24)25)19(23)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-12H,(H,21,23).
What are the key properties of 4-chloro-3-nitro-N-(2-phenylphenyl)benzamide?
4-chloro-3-nitro-N-(2-phenylphenyl)benzamide has a molecular weight of 352.78 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 2547821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).