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

C13H7BrF3NO — CID 4654718

IUPAC4-bromo-N-(2,4-difluorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(Br)cc1F
InChIInChI=1S/C13H7BrF3NO/c14-7-1-3-9(10(16)5-7)13(19)18-12-4-2-8(15)6-11(12)17/h1-6H,(H,18,19)
InChIKeyQKYKCDCSEJICLO-UHFFFAOYSA-N
MW330.10 g/mol
LogP4.12
Rot. Bonds2

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

4-bromo-N-(2,4-difluorophenyl)-2-fluorobenzamide (PubChem CID 4654718) has the molecular formula C13H7BrF3NO and a molecular weight of 330.10 g/mol. Its IUPAC name is 4-bromo-N-(2,4-difluorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-difluorophenyl)-2-fluorobenzamide
PubChem CID4654718
Molecular FormulaC13H7BrF3NO
Molecular Weight330.10 g/mol
Exact Mass328.97
IUPAC Name4-bromo-N-(2,4-difluorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(Br)cc1F
InChIInChI=1S/C13H7BrF3NO/c14-7-1-3-9(10(16)5-7)13(19)18-12-4-2-8(15)6-11(12)17/h1-6H,(H,18,19)
InChIKeyQKYKCDCSEJICLO-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-difluorophenyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2,4-difluorophenyl)-2-fluorobenzamide (CID 4654718) is 4-bromo-N-(2,4-difluorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2,4-difluorophenyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2,4-difluorophenyl)-2-fluorobenzamide is O=C(Nc1ccc(F)cc1F)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2,4-difluorophenyl)-2-fluorobenzamide?
The InChIKey is QKYKCDCSEJICLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3NO/c14-7-1-3-9(10(16)5-7)13(19)18-12-4-2-8(15)6-11(12)17/h1-6H,(H,18,19).
What are the key properties of 4-bromo-N-(2,4-difluorophenyl)-2-fluorobenzamide?
4-bromo-N-(2,4-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 4-bromo-N-(2,4-difluorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 4654718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).