4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide

C13H7Cl3N2O3 — CID 711259

IUPAC4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7Cl3N2O3/c14-8-2-4-9(15)11(6-8)17-13(19)7-1-3-10(16)12(5-7)18(20)21/h1-6H,(H,17,19)
InChIKeyFYQHDHBGADAFGF-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.81
Rot. Bonds3

About 4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide

4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide (PubChem CID 711259) has the molecular formula C13H7Cl3N2O3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide
PubChem CID711259
Molecular FormulaC13H7Cl3N2O3
Molecular Weight345.57 g/mol
Exact Mass343.95
IUPAC Name4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7Cl3N2O3/c14-8-2-4-9(15)11(6-8)17-13(19)7-1-3-10(16)12(5-7)18(20)21/h1-6H,(H,17,19)
InChIKeyFYQHDHBGADAFGF-UHFFFAOYSA-N
XLogP4.81
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.81
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

2-Chloro-5-nitrobenzanilide
CID 644213
4-Chloro-3-nitrobenzamide
CID 27942
N-(4-Amino-2-chloro-5-methylphenyl)benzamide
CID 67133
N-(3,4-Dichlorophenyl)-2-methyl-3-nitrobenzamide
CID 773731
2-Chloro-4'-nitrobenzanilide
CID 2787761
4-chloro-N-(3-chlorophenyl)benzamide
CID 346674
N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
CID 799096
4-chloro-3-nitro-N-(2-phenylethyl)benzamide
CID 795980
2'-Chloro-2-(4-nitrobenzoyl)acetanilide
CID 688188
4-Chloro-3-nitrobenzanilide
CID 96073
N-(3-chloro-4-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 2852875
4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide
CID 127046852

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide (CID 711259) is 4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide?
The InChIKey is FYQHDHBGADAFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O3/c14-8-2-4-9(15)11(6-8)17-13(19)7-1-3-10(16)12(5-7)18(20)21/h1-6H,(H,17,19).
What are the key properties of 4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide?
4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide has a molecular weight of 345.57 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 711259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).