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

C13H7BrCl2FNO — CID 60651805

IUPACN-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1c(Cl)cc(Br)cc1Cl)c1ccccc1F
InChIInChI=1S/C13H7BrCl2FNO/c14-7-5-9(15)12(10(16)6-7)18-13(19)8-3-1-2-4-11(8)17/h1-6H,(H,18,19)
InChIKeyPMWJGEMEJRJRJN-UHFFFAOYSA-N
MW363.01 g/mol
LogP5.15
Rot. Bonds2

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

N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide (PubChem CID 60651805) has the molecular formula C13H7BrCl2FNO and a molecular weight of 363.01 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide
PubChem CID60651805
Molecular FormulaC13H7BrCl2FNO
Molecular Weight363.01 g/mol
Exact Mass360.91
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1c(Cl)cc(Br)cc1Cl)c1ccccc1F
InChIInChI=1S/C13H7BrCl2FNO/c14-7-5-9(15)12(10(16)6-7)18-13(19)8-3-1-2-4-11(8)17/h1-6H,(H,18,19)
InChIKeyPMWJGEMEJRJRJN-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-difluorophenyl)-2-fluorobenzamide
CID 65470097
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676597
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148
2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid
CID 65470052
5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 62815588
N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 60651944
2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 83078029
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148
3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide
CID 107120471
N-(4-bromo-2,6-difluorophenyl)-2-methoxybenzamide
CID 65499723

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide (CID 60651805) is N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide is O=C(Nc1c(Cl)cc(Br)cc1Cl)c1ccccc1F.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide?
The InChIKey is PMWJGEMEJRJRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2FNO/c14-7-5-9(15)12(10(16)6-7)18-13(19)8-3-1-2-4-11(8)17/h1-6H,(H,18,19).
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide?
N-(4-bromo-2,6-dichlorophenyl)-2-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)-2-fluorobenzamide is sourced from PubChem (CID 60651805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).