5-chloro-2-nitro-N-(2-phenylphenyl)benzamide

C19H13ClN2O3 — CID 8005539

IUPAC5-chloro-2-nitro-N-(2-phenylphenyl)benzamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H13ClN2O3/c20-14-10-11-18(22(24)25)16(12-14)19(23)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-12H,(H,21,23)
InChIKeyAQRABPDJBCCIHI-UHFFFAOYSA-N
MW352.78 g/mol
LogP5.17
Rot. Bonds4

About 5-chloro-2-nitro-N-(2-phenylphenyl)benzamide

5-chloro-2-nitro-N-(2-phenylphenyl)benzamide (PubChem CID 8005539) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 5-chloro-2-nitro-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-nitro-N-(2-phenylphenyl)benzamide
PubChem CID8005539
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name5-chloro-2-nitro-N-(2-phenylphenyl)benzamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H13ClN2O3/c20-14-10-11-18(22(24)25)16(12-14)19(23)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-12H,(H,21,23)
InChIKeyAQRABPDJBCCIHI-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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Related Compounds

5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid
CID 45436116
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide
CID 103097829
5-amino-N-(2-chlorophenyl)-2-nitrobenzamide
CID 62155739
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 8866239
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
CID 4605334
N-acetyl-5-chloro-2-nitrobenzamide
CID 61216177

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-nitro-N-(2-phenylphenyl)benzamide?
The IUPAC name of 5-chloro-2-nitro-N-(2-phenylphenyl)benzamide (CID 8005539) is 5-chloro-2-nitro-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 5-chloro-2-nitro-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 5-chloro-2-nitro-N-(2-phenylphenyl)benzamide is O=C(Nc1ccccc1-c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-2-nitro-N-(2-phenylphenyl)benzamide?
The InChIKey is AQRABPDJBCCIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-14-10-11-18(22(24)25)16(12-14)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 5-chloro-2-nitro-N-(2-phenylphenyl)benzamide?
5-chloro-2-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 5-chloro-2-nitro-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 8005539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).