2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide

C13H18FNO2 — CID 82129851

IUPAC2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide
SMILESCc1cc(C(O)C(=O)NCC(C)C)ccc1F
InChIInChI=1S/C13H18FNO2/c1-8(2)7-15-13(17)12(16)10-4-5-11(14)9(3)6-10/h4-6,8,12,16H,7H2,1-3H3,(H,15,17)
InChIKeyZFUKBOSXRZPFDW-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.94
Rot. Bonds4

About 2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide

2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide (PubChem CID 82129851) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide
PubChem CID82129851
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide
SMILESCc1cc(C(O)C(=O)NCC(C)C)ccc1F
InChIInChI=1S/C13H18FNO2/c1-8(2)7-15-13(17)12(16)10-4-5-11(14)9(3)6-10/h4-6,8,12,16H,7H2,1-3H3,(H,15,17)
InChIKeyZFUKBOSXRZPFDW-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide
CID 82113315
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033
2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]-3-hydroxybutanoic acid
CID 82315016
2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 62120119
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide
CID 82116875
N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314995
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114200460
(3S)-3-(4-fluoro-3-methylphenyl)-4-methylpentanoic acid
CID 42073479
methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate
CID 62121072
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide (CID 82129851) is 2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide is Cc1cc(C(O)C(=O)NCC(C)C)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide?
The InChIKey is ZFUKBOSXRZPFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-8(2)7-15-13(17)12(16)10-4-5-11(14)9(3)6-10/h4-6,8,12,16H,7H2,1-3H3,(H,15,17).
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide?
2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide has a molecular weight of 239.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 82129851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).