3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide

C12H16FNO2 — CID 110886726

IUPAC3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
SMILESCC(O)CNC(=O)CCc1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-9(15)8-14-12(16)7-6-10-4-2-3-5-11(10)13/h2-5,9,15H,6-8H2,1H3,(H,14,16)
InChIKeyJWHKZCFNQUBDBD-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.26
Rot. Bonds5

About 3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide

3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide (PubChem CID 110886726) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
PubChem CID110886726
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
SMILESCC(O)CNC(=O)CCc1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-9(15)8-14-12(16)7-6-10-4-2-3-5-11(10)13/h2-5,9,15H,6-8H2,1H3,(H,14,16)
InChIKeyJWHKZCFNQUBDBD-UHFFFAOYSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide
CID 94107192
3-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propyl]propanamide
CID 110279623
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029751
N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide
CID 100546563
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
CID 95292204
3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032259
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
(2S)-3-[3-(2,3-difluorophenyl)propanoylamino]-2-methylpropanoic acid
CID 97324559
N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110620398
3-(2-fluorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 97417764
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783
N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 110833187

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide (CID 110886726) is 3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide is CC(O)CNC(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide?
The InChIKey is JWHKZCFNQUBDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9(15)8-14-12(16)7-6-10-4-2-3-5-11(10)13/h2-5,9,15H,6-8H2,1H3,(H,14,16).
What are the key properties of 3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide?
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide has a molecular weight of 225.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide is sourced from PubChem (CID 110886726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).