2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide

C13H8Cl2N2O3 — CID 711417

IUPAC2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H8Cl2N2O3/c14-8-1-3-9(4-2-8)16-13(18)11-7-10(17(19)20)5-6-12(11)15/h1-7H,(H,16,18)
InChIKeyYLRYDYDEPZYJCA-UHFFFAOYSA-N
MW311.12 g/mol
LogP4.15
Rot. Bonds3

About 2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide

2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide (PubChem CID 711417) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
PubChem CID711417
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Name2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H8Cl2N2O3/c14-8-1-3-9(4-2-8)16-13(18)11-7-10(17(19)20)5-6-12(11)15/h1-7H,(H,16,18)
InChIKeyYLRYDYDEPZYJCA-UHFFFAOYSA-N
XLogP4.15
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 54.15
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
Benzamide, N-(4-chlorophenyl)-
CID 96646
4'-Nitrobenzanilide
CID 76930
N-(3,4-Dichlorophenyl)-2-methyl-3-nitrobenzamide
CID 773731
2,2'-Dichlorobenzanilide
CID 221407
(2-Chloro-5-nitrophenyl)[4-(4-fluorophenyl)-1-piperazinyl]methanone
CID 1104888
2-Chloro-4'-nitrobenzanilide
CID 2787761
2-chloro-N-(3-chlorophenyl)benzamide
CID 347063
4-Chloro-M-benzotoluidide
CID 348519
4'-Fluoro-3-nitrobenzanilide
CID 765293
N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
CID 799096
2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide
CID 3706142

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide (CID 711417) is 2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide is O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide?
The InChIKey is YLRYDYDEPZYJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-8-1-3-9(4-2-8)16-13(18)11-7-10(17(19)20)5-6-12(11)15/h1-7H,(H,16,18).
What are the key properties of 2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide?
2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide has a molecular weight of 311.12 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide is sourced from PubChem (CID 711417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).