2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide

C13H7BrCl2FNO — CID 27666994

IUPAC2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1Br
InChIInChI=1S/C13H7BrCl2FNO/c14-10-6-8(17)2-3-9(10)13(19)18-12-4-1-7(15)5-11(12)16/h1-6H,(H,18,19)
InChIKeyZVCMZWJVNDXRFX-UHFFFAOYSA-N
MW363.01 g/mol
LogP5.15
Rot. Bonds2

About 2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide

2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide (PubChem CID 27666994) has the molecular formula C13H7BrCl2FNO and a molecular weight of 363.01 g/mol. Its IUPAC name is 2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
PubChem CID27666994
Molecular FormulaC13H7BrCl2FNO
Molecular Weight363.01 g/mol
Exact Mass360.91
IUPAC Name2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1Br
InChIInChI=1S/C13H7BrCl2FNO/c14-10-6-8(17)2-3-9(10)13(19)18-12-4-1-7(15)5-11(12)16/h1-6H,(H,18,19)
InChIKeyZVCMZWJVNDXRFX-UHFFFAOYSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.01
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
CID 9192644
2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide
CID 114024506
2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 107989011
2-bromo-4-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 103763825
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956
5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide
CID 62815766
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide (CID 27666994) is 2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide?
The InChIKey is ZVCMZWJVNDXRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2FNO/c14-10-6-8(17)2-3-9(10)13(19)18-12-4-1-7(15)5-11(12)16/h1-6H,(H,18,19).
What are the key properties of 2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide?
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide has a molecular weight of 363.01 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 27666994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).