2-chloro-3-nitro-4-phenylbenzamide

C13H9ClN2O3 — CID 141121877

IUPAC2-chloro-3-nitro-4-phenylbenzamide
SMILESNC(=O)c1ccc(-c2ccccc2)c([N+](=O)[O-])c1Cl
InChIInChI=1S/C13H9ClN2O3/c14-11-10(13(15)17)7-6-9(12(11)16(18)19)8-4-2-1-3-5-8/h1-7H,(H2,15,17)
InChIKeyOJZAGUOZVMKNKM-UHFFFAOYSA-N
MW276.68 g/mol
LogP3.01
Rot. Bonds3

About 2-chloro-3-nitro-4-phenylbenzamide

2-chloro-3-nitro-4-phenylbenzamide (PubChem CID 141121877) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 2-chloro-3-nitro-4-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-3-nitro-4-phenylbenzamide
PubChem CID141121877
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name2-chloro-3-nitro-4-phenylbenzamide
SMILESNC(=O)c1ccc(-c2ccccc2)c([N+](=O)[O-])c1Cl
InChIInChI=1S/C13H9ClN2O3/c14-11-10(13(15)17)7-6-9(12(11)16(18)19)8-4-2-1-3-5-8/h1-7H,(H2,15,17)
InChIKeyOJZAGUOZVMKNKM-UHFFFAOYSA-N
XLogP3.01
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 53.01
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

1-(2-nitro-3-phenylphenyl)ethanone
CID 67871724
4-(4-carboxyphenyl)-2,3-dinitrobenzoic acid
CID 141376234
azulen-1-yl(nitro)methanone
CID 177307251
2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide
CID 22245167
2-nitro-6-phenylbenzamide
CID 139649407
3,4-dichloro-2-nitrobenzoic acid
CID 20516693
5-chloro-3-iodo-2-nitrobenzamide
CID 171005064
(3-nitro-2,4-diphenylphenyl)hydrazine
CID 170838377
5-nitro-2-phenylbenzoyl chloride
CID 21406523
4-(5-nitro-2-phenylphenyl)phthalic acid
CID 175116891
2-(3-chloro-2-nitrophenoxy)benzamide
CID 104835314
5-nitro-6-phenylnaphthalene-2-carboxylic acid
CID 59303413

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitro-4-phenylbenzamide?
The IUPAC name of 2-chloro-3-nitro-4-phenylbenzamide (CID 141121877) is 2-chloro-3-nitro-4-phenylbenzamide.
What is the SMILES notation for 2-chloro-3-nitro-4-phenylbenzamide?
The canonical SMILES for 2-chloro-3-nitro-4-phenylbenzamide is NC(=O)c1ccc(-c2ccccc2)c([N+](=O)[O-])c1Cl.
What is the InChIKey of 2-chloro-3-nitro-4-phenylbenzamide?
The InChIKey is OJZAGUOZVMKNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-11-10(13(15)17)7-6-9(12(11)16(18)19)8-4-2-1-3-5-8/h1-7H,(H2,15,17).
What are the key properties of 2-chloro-3-nitro-4-phenylbenzamide?
2-chloro-3-nitro-4-phenylbenzamide has a molecular weight of 276.68 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitro-4-phenylbenzamide is sourced from PubChem (CID 141121877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).