2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide

C13H7Br2FN2O3 — CID 103886725

IUPAC2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H7Br2FN2O3/c14-7-1-3-9(10(15)5-7)13(19)17-8-2-4-12(18(20)21)11(16)6-8/h1-6H,(H,17,19)
InChIKeyONPSAOLNIGQADY-UHFFFAOYSA-N
MW418.02 g/mol
LogP4.51
Rot. Bonds3

About 2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide

2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide (PubChem CID 103886725) has the molecular formula C13H7Br2FN2O3 and a molecular weight of 418.02 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide
PubChem CID103886725
Molecular FormulaC13H7Br2FN2O3
Molecular Weight418.02 g/mol
Exact Mass415.88
IUPAC Name2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H7Br2FN2O3/c14-7-1-3-9(10(15)5-7)13(19)17-8-2-4-12(18(20)21)11(16)6-8/h1-6H,(H,17,19)
InChIKeyONPSAOLNIGQADY-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

2,4-dibromo-N-(3-methyl-4-nitrophenyl)benzamide
CID 103932023
2,4-dibromo-N-(2-nitrophenyl)benzamide
CID 107951959
2,4-dibromo-N-(2-fluoro-4-nitrophenyl)benzamide
CID 103886519
3-amino-4-bromo-N-(3-fluoro-4-nitrophenyl)benzamide
CID 107813287
2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 103763477
3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103852321
2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide
CID 106687096
5-amino-N-(3-bromo-4-fluorophenyl)-2-nitrobenzamide
CID 104781598
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
2-bromo-4-fluoro-N-(4-nitrophenyl)benzamide
CID 18197888
2,4-dibromo-N-(3-bromo-4-chlorophenyl)benzamide
CID 107939196
2-bromo-N-(3-bromo-4-fluorophenyl)-3-nitrobenzamide
CID 104776958

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide (CID 103886725) is 2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide?
The InChIKey is ONPSAOLNIGQADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2FN2O3/c14-7-1-3-9(10(15)5-7)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 2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide?
2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide 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 2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide is sourced from PubChem (CID 103886725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).