5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide

C12H13BrF3NO3 — CID 47456163

IUPAC5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
SMILESCC(COCC(F)(F)F)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H13BrF3NO3/c1-7(5-20-6-12(14,15)16)17-11(19)9-4-8(13)2-3-10(9)18/h2-4,7,18H,5-6H2,1H3,(H,17,19)
InChIKeyGKRXDWCJCNMDSG-UHFFFAOYSA-N
MW356.14 g/mol
LogP2.85
Rot. Bonds5

About 5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide

5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide (PubChem CID 47456163) has the molecular formula C12H13BrF3NO3 and a molecular weight of 356.14 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
PubChem CID47456163
Molecular FormulaC12H13BrF3NO3
Molecular Weight356.14 g/mol
Exact Mass355.00
IUPAC Name5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
SMILESCC(COCC(F)(F)F)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H13BrF3NO3/c1-7(5-20-6-12(14,15)16)17-11(19)9-4-8(13)2-3-10(9)18/h2-4,7,18H,5-6H2,1H3,(H,17,19)
InChIKeyGKRXDWCJCNMDSG-UHFFFAOYSA-N
XLogP2.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.14
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
CID 94812199
5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 103793439
5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide
CID 103600383
3-hydroxy-4-nitro-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
CID 95044749
5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
CID 107729749
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide
CID 113235026
5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 103722599
5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107729642
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 113461627
5-[1-(2,2,2-trifluoroethoxy)propan-2-ylcarbamoyl]thiophene-2-carboxylic acid
CID 119182927
(2S)-2-[(5-bromo-2-hydroxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 107729323

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide (CID 47456163) is 5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide is CC(COCC(F)(F)F)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide?
The InChIKey is GKRXDWCJCNMDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO3/c1-7(5-20-6-12(14,15)16)17-11(19)9-4-8(13)2-3-10(9)18/h2-4,7,18H,5-6H2,1H3,(H,17,19).
What are the key properties of 5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide?
5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide has a molecular weight of 356.14 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide is sourced from PubChem (CID 47456163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).