N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide

C13H7BrCl2FNO — CID 60651944

IUPACN-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
SMILESO=C(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H7BrCl2FNO/c14-8-5-10(15)12(11(16)6-8)18-13(19)7-1-3-9(17)4-2-7/h1-6H,(H,18,19)
InChIKeyXLDORFSQKNAXGH-UHFFFAOYSA-N
MW363.01 g/mol
LogP5.15
Rot. Bonds2

About N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide

N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide (PubChem CID 60651944) has the molecular formula C13H7BrCl2FNO and a molecular weight of 363.01 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
PubChem CID60651944
Molecular FormulaC13H7BrCl2FNO
Molecular Weight363.01 g/mol
Exact Mass360.91
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
SMILESO=C(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H7BrCl2FNO/c14-8-5-10(15)12(11(16)6-8)18-13(19)7-1-3-9(17)4-2-7/h1-6H,(H,18,19)
InChIKeyXLDORFSQKNAXGH-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

N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide
CID 102850859
4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide
CID 28993465
N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide
CID 60651805
N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide
CID 103220871
3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 103878381
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676597
5-bromo-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 82889340
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide
CID 107610811
N-(4-bromo-2,6-dichlorophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62244012
N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
CID 60628486
N-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide
CID 90989113

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide (CID 60651944) is N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide is O=C(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide?
The InChIKey is XLDORFSQKNAXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2FNO/c14-8-5-10(15)12(11(16)6-8)18-13(19)7-1-3-9(17)4-2-7/h1-6H,(H,18,19).
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide?
N-(4-bromo-2,6-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 N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 60651944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).