2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide

C13H7Br2ClN2O3 — CID 107988324

IUPAC2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Br)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H7Br2ClN2O3/c14-10-4-2-8(18(20)21)6-12(10)17-13(19)9-3-1-7(16)5-11(9)15/h1-6H,(H,17,19)
InChIKeyCNOONPUEUQDUBF-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.03
Rot. Bonds3

About 2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide

2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide (PubChem CID 107988324) has the molecular formula C13H7Br2ClN2O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
PubChem CID107988324
Molecular FormulaC13H7Br2ClN2O3
Molecular Weight434.47 g/mol
Exact Mass431.85
IUPAC Name2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Br)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H7Br2ClN2O3/c14-10-4-2-8(18(20)21)6-12(10)17-13(19)9-3-1-7(16)5-11(9)15/h1-6H,(H,17,19)
InChIKeyCNOONPUEUQDUBF-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
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
CID 81027167
4-amino-N-(2-bromo-5-nitrophenyl)-2-fluorobenzamide
CID 107794756
N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide
CID 81495048
N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide
CID 81272714
2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
CID 114018389
2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 107988108
N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide
CID 103753653
2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide
CID 106854180
2,4-dibromo-N-(2-fluoro-4-nitrophenyl)benzamide
CID 103886519
2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide
CID 103885202

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide?
The IUPAC name of 2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide (CID 107988324) is 2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide?
The canonical SMILES for 2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide is O=C(Nc1cc([N+](=O)[O-])ccc1Br)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide?
The InChIKey is CNOONPUEUQDUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClN2O3/c14-10-4-2-8(18(20)21)6-12(10)17-13(19)9-3-1-7(16)5-11(9)15/h1-6H,(H,17,19).
What are the key properties of 2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide?
2-bromo-N-(2-bromo-5-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-5-nitrophenyl)-4-chlorobenzamide is sourced from PubChem (CID 107988324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).