3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide

C13H7Br3FNO — CID 107951894

IUPAC3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1Br)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H7Br3FNO/c14-8-2-4-12(10(16)6-8)18-13(19)7-1-3-11(17)9(15)5-7/h1-6H,(H,18,19)
InChIKeyNOSSQQJSEYMNHZ-UHFFFAOYSA-N
MW451.92 g/mol
LogP5.37
Rot. Bonds2

About 3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide

3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide (PubChem CID 107951894) has the molecular formula C13H7Br3FNO and a molecular weight of 451.92 g/mol. Its IUPAC name is 3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
PubChem CID107951894
Molecular FormulaC13H7Br3FNO
Molecular Weight451.92 g/mol
Exact Mass448.81
IUPAC Name3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1Br)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H7Br3FNO/c14-8-2-4-12(10(16)6-8)18-13(19)7-1-3-11(17)9(15)5-7/h1-6H,(H,18,19)
InChIKeyNOSSQQJSEYMNHZ-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.92
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide
CID 63185804
N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585
3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide
CID 103707138
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569
N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide
CID 103807594
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide
CID 43702662
4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102848004
3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107953830

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide (CID 107951894) is 3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide is O=C(Nc1ccc(Br)cc1Br)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide?
The InChIKey is NOSSQQJSEYMNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3FNO/c14-8-2-4-12(10(16)6-8)18-13(19)7-1-3-11(17)9(15)5-7/h1-6H,(H,18,19).
What are the key properties of 3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide?
3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide has a molecular weight of 451.92 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide is sourced from PubChem (CID 107951894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).