N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide

C13H7BrF3NO — CID 115661483

IUPACN-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C13H7BrF3NO/c14-10-6-8(2-4-12(10)17)18-13(19)9-5-7(15)1-3-11(9)16/h1-6H,(H,18,19)
InChIKeyVABJJOCVTRTUBI-UHFFFAOYSA-N
MW330.10 g/mol
LogP4.12
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide

N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide (PubChem CID 115661483) has the molecular formula C13H7BrF3NO and a molecular weight of 330.10 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
PubChem CID115661483
Molecular FormulaC13H7BrF3NO
Molecular Weight330.10 g/mol
Exact Mass328.97
IUPAC NameN-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C13H7BrF3NO/c14-10-6-8(2-4-12(10)17)18-13(19)9-5-7(15)1-3-11(9)16/h1-6H,(H,18,19)
InChIKeyVABJJOCVTRTUBI-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-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide
CID 107034981
N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
CID 16777839
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 42370376
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 43712158
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 78802909
N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide
CID 114299996
N-(4-bromo-3-chlorophenyl)-5-chloro-2-fluorobenzamide
CID 107619744
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide (CID 115661483) is N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide is O=C(Nc1ccc(F)c(Br)c1)c1cc(F)ccc1F.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide?
The InChIKey is VABJJOCVTRTUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3NO/c14-10-6-8(2-4-12(10)17)18-13(19)9-5-7(15)1-3-11(9)16/h1-6H,(H,18,19).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide?
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide 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-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide is sourced from PubChem (CID 115661483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).