2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide

C10H10F3NO2 — CID 104936943

IUPAC2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
SMILESCC(C)(O)C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C10H10F3NO2/c1-10(2,16)9(15)14-8-4-6(12)5(11)3-7(8)13/h3-4,16H,1-2H3,(H,14,15)
InChIKeyRUBLSOBJWPYSMW-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.81
Rot. Bonds2

About 2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide

2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide (PubChem CID 104936943) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
PubChem CID104936943
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
SMILESCC(C)(O)C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C10H10F3NO2/c1-10(2,16)9(15)14-8-4-6(12)5(11)3-7(8)13/h3-4,16H,1-2H3,(H,14,15)
InChIKeyRUBLSOBJWPYSMW-UHFFFAOYSA-N
XLogP1.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178606
2-carbamothioyl-2-methyl-N-(2,4,5-trifluorophenyl)butanamide
CID 114292239
2-(aminomethyl)-2-ethyl-N-(2,4,5-trifluorophenyl)butanamide
CID 62815380
(2,4,5-trifluorophenyl)carbamic acid
CID 89413895
N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide
CID 22287352
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
N-(2,4,5-trifluorophenyl)propanamide
CID 63372836
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
2-cyano-N-(2,4-difluoro-5-nitrophenyl)-2-methylbutanamide
CID 114291571
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropanamide
CID 130165280
2,2-dimethyl-3-(2,4,5-trifluoroanilino)propanoic acid
CID 79624686

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide (CID 104936943) is 2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide is CC(C)(O)C(=O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of 2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide?
The InChIKey is RUBLSOBJWPYSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-10(2,16)9(15)14-8-4-6(12)5(11)3-7(8)13/h3-4,16H,1-2H3,(H,14,15).
What are the key properties of 2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide?
2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide has a molecular weight of 233.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide is sourced from PubChem (CID 104936943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).