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

C13H7Br2ClN2O3 — CID 81027167

IUPAC2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1Br)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C13H7Br2ClN2O3/c14-10-3-2-8(18(20)21)6-9(10)13(19)17-12-4-1-7(16)5-11(12)15/h1-6H,(H,17,19)
InChIKeyDHKGXIWNZYJXSY-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.03
Rot. Bonds3

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

2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide (PubChem CID 81027167) has the molecular formula C13H7Br2ClN2O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
PubChem CID81027167
Molecular FormulaC13H7Br2ClN2O3
Molecular Weight434.47 g/mol
Exact Mass431.85
IUPAC Name2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1Br)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C13H7Br2ClN2O3/c14-10-3-2-8(18(20)21)6-9(10)13(19)17-12-4-1-7(16)5-11(12)15/h1-6H,(H,17,19)
InChIKeyDHKGXIWNZYJXSY-UHFFFAOYSA-N
XLogP5.03
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 55.03
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-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
CID 107988092
2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
CID 107988324
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
2-bromo-N-(2-bromo-4-nitrophenyl)-5-methylbenzamide
CID 81109764
2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide
CID 81003282
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide
CID 103910150
N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide
CID 81226714
2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-5-nitrobenzamide
CID 4506378
2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 81110110
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
5-amino-2-bromo-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107744382

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide?
The IUPAC name of 2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide (CID 81027167) is 2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide?
The canonical SMILES for 2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide is O=C(Nc1ccc(Cl)cc1Br)c1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide?
The InChIKey is DHKGXIWNZYJXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClN2O3/c14-10-3-2-8(18(20)21)6-9(10)13(19)17-12-4-1-7(16)5-11(12)15/h1-6H,(H,17,19).
What are the key properties of 2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide?
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide has a molecular weight of 434.47 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide is sourced from PubChem (CID 81027167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).