3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide

C14H20FNO3 — CID 86264329

IUPAC3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide
SMILESCOCC(C)(O)CNC(=O)CCc1ccccc1F
InChIInChI=1S/C14H20FNO3/c1-14(18,10-19-2)9-16-13(17)8-7-11-5-3-4-6-12(11)15/h3-6,18H,7-10H2,1-2H3,(H,16,17)
InChIKeyYXZZEKRUDVCSAC-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.27
Rot. Bonds7

About 3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide

3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide (PubChem CID 86264329) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide
PubChem CID86264329
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide
SMILESCOCC(C)(O)CNC(=O)CCc1ccccc1F
InChIInChI=1S/C14H20FNO3/c1-14(18,10-19-2)9-16-13(17)8-7-11-5-3-4-6-12(11)15/h3-6,18H,7-10H2,1-2H3,(H,16,17)
InChIKeyYXZZEKRUDVCSAC-UHFFFAOYSA-N
XLogP1.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500952
2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500955
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 95987114
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 111463317
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide
CID 94107192
3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 51072977
3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
CID 111446592
N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide
CID 65109951
N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
CID 110472861

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide (CID 86264329) is 3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide is COCC(C)(O)CNC(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide?
The InChIKey is YXZZEKRUDVCSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(18,10-19-2)9-16-13(17)8-7-11-5-3-4-6-12(11)15/h3-6,18H,7-10H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide?
3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide has a molecular weight of 269.32 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide is sourced from PubChem (CID 86264329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).