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

C11H10BrF4NO2 — CID 164522143

IUPAC4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCNC(=O)c1cc(F)c(Br)cc1OC(C)C(F)(F)F
InChIInChI=1S/C11H10BrF4NO2/c1-5(11(14,15)16)19-9-4-7(12)8(13)3-6(9)10(18)17-2/h3-5H,1-2H3,(H,17,18)
InChIKeyFTTNJJKFKDHUAM-UHFFFAOYSA-N
MW344.10 g/mol
LogP3.28
Rot. Bonds3

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

4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide (PubChem CID 164522143) has the molecular formula C11H10BrF4NO2 and a molecular weight of 344.10 g/mol. Its IUPAC name is 4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide.

Molecular Properties

Compound Name4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
PubChem CID164522143
Molecular FormulaC11H10BrF4NO2
Molecular Weight344.10 g/mol
Exact Mass342.98
IUPAC Name4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCNC(=O)c1cc(F)c(Br)cc1OC(C)C(F)(F)F
InChIInChI=1S/C11H10BrF4NO2/c1-5(11(14,15)16)19-9-4-7(12)8(13)3-6(9)10(18)17-2/h3-5H,1-2H3,(H,17,18)
InChIKeyFTTNJJKFKDHUAM-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.10
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-bromo-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzoate
CID 156644034
4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 146483880
3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 156722490
4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 66276494
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
4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide
CID 102721635
4-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 170995658
5-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 59703438
4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide
CID 134470072
methyl 4-bromo-2-(dibromomethyl)-5-fluorobenzoate
CID 165406435
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanone
CID 103394263
2,3,5-trifluoro-N-methylbenzamide
CID 58656809

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The IUPAC name of 4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide (CID 164522143) is 4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide.
What is the SMILES notation for 4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The canonical SMILES for 4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide is CNC(=O)c1cc(F)c(Br)cc1OC(C)C(F)(F)F.
What is the InChIKey of 4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The InChIKey is FTTNJJKFKDHUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF4NO2/c1-5(11(14,15)16)19-9-4-7(12)8(13)3-6(9)10(18)17-2/h3-5H,1-2H3,(H,17,18).
What are the key properties of 4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide has a molecular weight of 344.10 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide is sourced from PubChem (CID 164522143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).