3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide

C13H7BrCl2N2O3 — CID 107999621

IUPAC3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H7BrCl2N2O3/c14-9-5-7(1-3-10(9)15)13(19)17-8-2-4-12(18(20)21)11(16)6-8/h1-6H,(H,17,19)
InChIKeyMUEHVNBWOCKOLL-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.92
Rot. Bonds3

About 3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide

3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide (PubChem CID 107999621) has the molecular formula C13H7BrCl2N2O3 and a molecular weight of 390.02 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide
PubChem CID107999621
Molecular FormulaC13H7BrCl2N2O3
Molecular Weight390.02 g/mol
Exact Mass387.90
IUPAC Name3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H7BrCl2N2O3/c14-9-5-7(1-3-10(9)15)13(19)17-8-2-4-12(18(20)21)11(16)6-8/h1-6H,(H,17,19)
InChIKeyMUEHVNBWOCKOLL-UHFFFAOYSA-N
XLogP4.92
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 54.92
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 3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide 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

3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103852321
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
CID 107980537
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395
N-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379
3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide
CID 62680652
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide
CID 26087185
4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide
CID 78924091
N-(3-chloro-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 78962697
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663
N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 78948733

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide (CID 107999621) is 3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide?
The InChIKey is MUEHVNBWOCKOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2O3/c14-9-5-7(1-3-10(9)15)13(19)17-8-2-4-12(18(20)21)11(16)6-8/h1-6H,(H,17,19).
What are the key properties of 3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide?
3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide has a molecular weight of 390.02 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide is sourced from PubChem (CID 107999621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).