2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide

C13H7Br2ClN2O3 — CID 107988092

IUPAC2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H7Br2ClN2O3/c14-10-5-7(16)1-3-9(10)13(19)17-12-4-2-8(18(20)21)6-11(12)15/h1-6H,(H,17,19)
InChIKeyVHPPGZRSTMNHKD-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.03
Rot. Bonds3

About 2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide

2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide (PubChem CID 107988092) has the molecular formula C13H7Br2ClN2O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
PubChem CID107988092
Molecular FormulaC13H7Br2ClN2O3
Molecular Weight434.47 g/mol
Exact Mass431.85
IUPAC Name2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H7Br2ClN2O3/c14-10-5-7(16)1-3-9(10)13(19)17-12-4-2-8(18(20)21)6-11(12)15/h1-6H,(H,17,19)
InChIKeyVHPPGZRSTMNHKD-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-chlorophenyl)-5-nitrobenzamide
CID 81027167
2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
CID 107988324
2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 107988108
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide
CID 81226714
2,4-dibromo-N-(2-fluoro-4-nitrophenyl)benzamide
CID 103886519
3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107986722
2-bromo-N-(2-bromo-4-nitrophenyl)-5-methylbenzamide
CID 81109764
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea
CID 19187569
5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide?
The IUPAC name of 2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide (CID 107988092) is 2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide?
The canonical SMILES for 2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide is O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide?
The InChIKey is VHPPGZRSTMNHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClN2O3/c14-10-5-7(16)1-3-9(10)13(19)17-12-4-2-8(18(20)21)6-11(12)15/h1-6H,(H,17,19).
What are the key properties of 2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide?
2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide 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-nitrophenyl)-4-chlorobenzamide is sourced from PubChem (CID 107988092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).