3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide

C13H7Cl3N2O3 — CID 43215262

IUPAC3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide
SMILESO=C(Nc1ccccc1Cl)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7Cl3N2O3/c14-8-3-1-2-4-10(8)17-13(19)7-5-9(15)12(16)11(6-7)18(20)21/h1-6H,(H,17,19)
InChIKeyBLCDMBOUFMJBJI-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.81
Rot. Bonds3

About 3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide

3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide (PubChem CID 43215262) has the molecular formula C13H7Cl3N2O3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide
PubChem CID43215262
Molecular FormulaC13H7Cl3N2O3
Molecular Weight345.57 g/mol
Exact Mass343.95
IUPAC Name3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide
SMILESO=C(Nc1ccccc1Cl)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7Cl3N2O3/c14-8-3-1-2-4-10(8)17-13(19)7-5-9(15)12(16)11(6-7)18(20)21/h1-6H,(H,17,19)
InChIKeyBLCDMBOUFMJBJI-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

N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide
CID 43215256
4-chloro-N-(2-iodophenyl)-3,5-dinitrobenzamide
CID 4629817
4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3523011
4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide
CID 62154698
3,4-dichloro-N-methyl-5-nitrobenzamide
CID 43215307
4-chloro-N-(2-chloro-3-pyridinyl)-3,5-dinitrobenzamide
CID 4549997
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
CID 82832841
methyl 3-[(2-chlorophenyl)carbamoyl]-5-nitrobenzoate
CID 690578
3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 55023839
5-amino-N-(2-chlorophenyl)-2-nitrobenzamide
CID 62155739
N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide
CID 17440781
5-[(2-chlorophenyl)carbamoyl]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
CID 163158165

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide?
The IUPAC name of 3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide (CID 43215262) is 3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide?
The canonical SMILES for 3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide is O=C(Nc1ccccc1Cl)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide?
The InChIKey is BLCDMBOUFMJBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O3/c14-8-3-1-2-4-10(8)17-13(19)7-5-9(15)12(16)11(6-7)18(20)21/h1-6H,(H,17,19).
What are the key properties of 3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide?
3,4-dichloro-N-(2-chlorophenyl)-5-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 3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide is sourced from PubChem (CID 43215262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).