4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide

C10H9BrF3NO2 — CID 174363574

IUPAC4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(Br)cc(O)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H9BrF3NO2/c1-5-2-6(11)3-7(16)8(5)9(17)15-4-10(12,13)14/h2-3,16H,4H2,1H3,(H,15,17)
InChIKeySPPLFCSIXWJYMM-UHFFFAOYSA-N
MW312.09 g/mol
LogP2.76
Rot. Bonds2

About 4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide

4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 174363574) has the molecular formula C10H9BrF3NO2 and a molecular weight of 312.09 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID174363574
Molecular FormulaC10H9BrF3NO2
Molecular Weight312.09 g/mol
Exact Mass310.98
IUPAC Name4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(Br)cc(O)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H9BrF3NO2/c1-5-2-6(11)3-7(16)8(5)9(17)15-4-10(12,13)14/h2-3,16H,4H2,1H3,(H,15,17)
InChIKeySPPLFCSIXWJYMM-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 163582712
3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 7535357
4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 146275233
4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103830485
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 43523684
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373702
5-bromo-2-chloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370282
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 172610049
4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374272

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 174363574) is 4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(Br)cc(O)c1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is SPPLFCSIXWJYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO2/c1-5-2-6(11)3-7(16)8(5)9(17)15-4-10(12,13)14/h2-3,16H,4H2,1H3,(H,15,17).
What are the key properties of 4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide?
4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 312.09 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 174363574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).