4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide

C16H10BrF6NO2 — CID 146483880

IUPAC4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(Oc1cc(Br)c(F)cc1C(=O)Nc1c(F)cccc1F)C(F)(F)F
InChIInChI=1S/C16H10BrF6NO2/c1-7(16(21,22)23)26-13-6-9(17)12(20)5-8(13)15(25)24-14-10(18)3-2-4-11(14)19/h2-7H,1H3,(H,24,25)
InChIKeyNDZISKOHGVGAGZ-UHFFFAOYSA-N
MW442.15 g/mol
LogP5.45
Rot. Bonds4

About 4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide

4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide (PubChem CID 146483880) has the molecular formula C16H10BrF6NO2 and a molecular weight of 442.15 g/mol. Its IUPAC name is 4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
PubChem CID146483880
Molecular FormulaC16H10BrF6NO2
Molecular Weight442.15 g/mol
Exact Mass440.98
IUPAC Name4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(Oc1cc(Br)c(F)cc1C(=O)Nc1c(F)cccc1F)C(F)(F)F
InChIInChI=1S/C16H10BrF6NO2/c1-7(16(21,22)23)26-13-6-9(17)12(20)5-8(13)15(25)24-14-10(18)3-2-4-11(14)19/h2-7H,1H3,(H,24,25)
InChIKeyNDZISKOHGVGAGZ-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.15
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 164522143
methyl 4-bromo-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzoate
CID 156644034
4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide
CID 134470072
N-(2,6-difluorophenyl)-5-fluoro-4-[3-(1-hydroxyethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 134470391
N-(2,6-difluorophenyl)-5-fluoro-4-(3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 134474142
N-(2,6-difluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 134473929
1-[4-[(2,6-difluorophenyl)carbamoyl]-2-fluoro-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-4-ethyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 134470328
N-(2-bromo-6-chlorophenyl)-4-[[(Z)-2-cyano-3-hydroxybut-2-enoyl]amino]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 166632089
N-(2,6-difluorophenyl)-4-[4-ethyl-3-(methylsulfonimidoyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 175292906
N-[4-[(2-chloro-6-fluorophenyl)carbamoyl]-2-fluoro-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-2-oxopyrrolidine-1-carboxamide
CID 175717115
N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[1-(3-methylpyrrolidin-1-yl)ethenylamino]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 167594401
N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[1-[3-(hydroxymethyl)azetidin-1-yl]ethenylamino]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 167594399

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The IUPAC name of 4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide (CID 146483880) is 4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide.
What is the SMILES notation for 4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The canonical SMILES for 4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide is CC(Oc1cc(Br)c(F)cc1C(=O)Nc1c(F)cccc1F)C(F)(F)F.
What is the InChIKey of 4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The InChIKey is NDZISKOHGVGAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF6NO2/c1-7(16(21,22)23)26-13-6-9(17)12(20)5-8(13)15(25)24-14-10(18)3-2-4-11(14)19/h2-7H,1H3,(H,24,25).
What are the key properties of 4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide has a molecular weight of 442.15 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide is sourced from PubChem (CID 146483880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).