2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide

C18H18F3NO3 — CID 23572084

IUPAC2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide
SMILESCc1ccc(NC(=O)C(C)(O)COc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C18H18F3NO3/c1-12-8-9-13(10-15(12)18(19,20)21)22-16(23)17(2,24)11-25-14-6-4-3-5-7-14/h3-10,24H,11H2,1-2H3,(H,22,23)
InChIKeyCTQCJQRTDQSZFI-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.78
Rot. Bonds5

About 2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide

2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide (PubChem CID 23572084) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide
PubChem CID23572084
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide
SMILESCc1ccc(NC(=O)C(C)(O)COc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C18H18F3NO3/c1-12-8-9-13(10-15(12)18(19,20)21)22-16(23)17(2,24)11-25-14-6-4-3-5-7-14/h3-10,24H,11H2,1-2H3,(H,22,23)
InChIKeyCTQCJQRTDQSZFI-UHFFFAOYSA-N
XLogP3.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methyl-3-phenoxypropanamide
CID 157266383
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(4-methylphenoxy)propanamide
CID 71022253
(2S)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-nitroso-3-(trifluoromethyl)phenyl]propanamide
CID 142885807
(2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-[4-[(2,2,2-trifluoroacetyl)amino]phenoxy]propanamide
CID 11294883
2-hydroxy-3-(4-hydroxyphenoxy)-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 123428105
3-(4-chlorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 67311921
2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-nitroso-3-[3-(pentafluoro-λ6-sulfanyl)phenoxy]propanamide
CID 121360407
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-ethylphenoxy)-2-hydroxy-2-methylpropanamide
CID 166112142
(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide
CID 58619244
(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 58594527
2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 23596876
3-[3,5-bis(trifluoromethyl)phenoxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 127043517

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide (CID 23572084) is 2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide is Cc1ccc(NC(=O)C(C)(O)COc2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide?
The InChIKey is CTQCJQRTDQSZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-12-8-9-13(10-15(12)18(19,20)21)22-16(23)17(2,24)11-25-14-6-4-3-5-7-14/h3-10,24H,11H2,1-2H3,(H,22,23).
What are the key properties of 2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide?
2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide has a molecular weight of 353.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide is sourced from PubChem (CID 23572084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).