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

C13H7BrF3NO — CID 65470097

IUPACN-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)c1ccccc1F
InChIInChI=1S/C13H7BrF3NO/c14-7-5-10(16)12(11(17)6-7)18-13(19)8-3-1-2-4-9(8)15/h1-6H,(H,18,19)
InChIKeyRRBPNALSKAJBAT-UHFFFAOYSA-N
MW330.10 g/mol
LogP4.12
Rot. Bonds2

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

N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide (PubChem CID 65470097) has the molecular formula C13H7BrF3NO and a molecular weight of 330.10 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide
PubChem CID65470097
Molecular FormulaC13H7BrF3NO
Molecular Weight330.10 g/mol
Exact Mass328.97
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)c1ccccc1F
InChIInChI=1S/C13H7BrF3NO/c14-7-5-10(16)12(11(17)6-7)18-13(19)8-3-1-2-4-9(8)15/h1-6H,(H,18,19)
InChIKeyRRBPNALSKAJBAT-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide
CID 60651805
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148
2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid
CID 65470052
N-(4-bromo-2,6-difluorophenyl)-2-methoxybenzamide
CID 65499723
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858
N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
CID 79754685
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methylbenzamide
CID 65469438
4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
CID 43126410
3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 107972354
2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65469243
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide (CID 65470097) is N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide is O=C(Nc1c(F)cc(Br)cc1F)c1ccccc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide?
The InChIKey is RRBPNALSKAJBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3NO/c14-7-5-10(16)12(11(17)6-7)18-13(19)8-3-1-2-4-9(8)15/h1-6H,(H,18,19).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide?
N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide has a molecular weight of 330.10 g/mol, XLogP of 4.12, 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-difluorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 65470097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).