2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide

C14H9BrF3NO — CID 115678323

IUPAC2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
SMILESO=C(NCc1ccc(F)cc1F)c1c(F)cccc1Br
InChIInChI=1S/C14H9BrF3NO/c15-10-2-1-3-11(17)13(10)14(20)19-7-8-4-5-9(16)6-12(8)18/h1-6H,7H2,(H,19,20)
InChIKeyYOOCBKTVFYBQDJ-UHFFFAOYSA-N
MW344.13 g/mol
LogP3.80
Rot. Bonds3

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

2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide (PubChem CID 115678323) has the molecular formula C14H9BrF3NO and a molecular weight of 344.13 g/mol. Its IUPAC name is 2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
PubChem CID115678323
Molecular FormulaC14H9BrF3NO
Molecular Weight344.13 g/mol
Exact Mass342.98
IUPAC Name2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
SMILESO=C(NCc1ccc(F)cc1F)c1c(F)cccc1Br
InChIInChI=1S/C14H9BrF3NO/c15-10-2-1-3-11(17)13(10)14(20)19-7-8-4-5-9(16)6-12(8)18/h1-6H,7H2,(H,19,20)
InChIKeyYOOCBKTVFYBQDJ-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 103985523
1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 114559875
2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
CID 114372185
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
2-bromo-6-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231275
4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 62045941
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzamide
CID 103861008
2-bromo-6-fluoro-N-prop-2-enylbenzamide
CID 115678484
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 114558352

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide (CID 115678323) is 2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide is O=C(NCc1ccc(F)cc1F)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide?
The InChIKey is YOOCBKTVFYBQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO/c15-10-2-1-3-11(17)13(10)14(20)19-7-8-4-5-9(16)6-12(8)18/h1-6H,7H2,(H,19,20).
What are the key properties of 2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide?
2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide has a molecular weight of 344.13 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide is sourced from PubChem (CID 115678323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).