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

C13H7Cl3N2O3 — CID 4556863

IUPAC5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H7Cl3N2O3/c14-7-1-2-12(18(20)21)11(6-7)13(19)17-10-4-8(15)3-9(16)5-10/h1-6H,(H,17,19)
InChIKeyMOQDAGRZIHMTBD-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.81
Rot. Bonds3

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

5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide (PubChem CID 4556863) has the molecular formula C13H7Cl3N2O3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
PubChem CID4556863
Molecular FormulaC13H7Cl3N2O3
Molecular Weight345.57 g/mol
Exact Mass343.95
IUPAC Name5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H7Cl3N2O3/c14-7-1-2-12(18(20)21)11(6-7)13(19)17-10-4-8(15)3-9(16)5-10/h1-6H,(H,17,19)
InChIKeyMOQDAGRZIHMTBD-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'}

Analyze 5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
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
dimethyl 5-[(5-chloro-2-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 1358921
N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide
CID 103774980
5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684275
N-acetyl-5-chloro-2-nitrobenzamide
CID 61216177
N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215672
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
methyl N-[4-[(5-chloro-2-nitrobenzoyl)amino]phenyl]-N-methylcarbamate
CID 60578817
N'-acetyl-5-chloro-2-nitrobenzohydrazide
CID 60631017
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide (CID 4556863) is 5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide?
The InChIKey is MOQDAGRZIHMTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O3/c14-7-1-2-12(18(20)21)11(6-7)13(19)17-10-4-8(15)3-9(16)5-10/h1-6H,(H,17,19).
What are the key properties of 5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide?
5-chloro-N-(3,5-dichlorophenyl)-2-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 5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide is sourced from PubChem (CID 4556863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).