2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide

C13H7Br2FN2O3 — CID 103741282

IUPAC2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide
SMILESO=C(Nc1c(F)cccc1Br)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C13H7Br2FN2O3/c14-9-5-4-7(18(20)21)6-8(9)13(19)17-12-10(15)2-1-3-11(12)16/h1-6H,(H,17,19)
InChIKeyUUKDOGNIHLZJBB-UHFFFAOYSA-N
MW418.02 g/mol
LogP4.51
Rot. Bonds3

About 2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide

2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide (PubChem CID 103741282) has the molecular formula C13H7Br2FN2O3 and a molecular weight of 418.02 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide
PubChem CID103741282
Molecular FormulaC13H7Br2FN2O3
Molecular Weight418.02 g/mol
Exact Mass415.88
IUPAC Name2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide
SMILESO=C(Nc1c(F)cccc1Br)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C13H7Br2FN2O3/c14-9-5-4-7(18(20)21)6-8(9)13(19)17-12-10(15)2-1-3-11(12)16/h1-6H,(H,17,19)
InChIKeyUUKDOGNIHLZJBB-UHFFFAOYSA-N
XLogP4.51
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.02
LogP ≤ 54.51
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

N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide
CID 81495048
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
CID 107596162
2-bromo-N-(4-fluoro-3-methylphenyl)-5-nitrobenzamide
CID 62812667
2-(2-bromo-6-fluoroanilino)-4-nitrobenzoic acid
CID 107600924
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
CID 81027167
N-(2-bromo-6-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676888
3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 106548159
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
2-bromo-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 103765558
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide?
The IUPAC name of 2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide (CID 103741282) is 2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide?
The canonical SMILES for 2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide is O=C(Nc1c(F)cccc1Br)c1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide?
The InChIKey is UUKDOGNIHLZJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2FN2O3/c14-9-5-4-7(18(20)21)6-8(9)13(19)17-12-10(15)2-1-3-11(12)16/h1-6H,(H,17,19).
What are the key properties of 2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide?
2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide has a molecular weight of 418.02 g/mol, XLogP of 4.51, 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-6-fluorophenyl)-5-nitrobenzamide is sourced from PubChem (CID 103741282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).