3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide

C12H16FNO2 — CID 43418758

IUPAC3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
SMILESCC(CO)NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-9(8-15)14-12(16)7-4-10-2-5-11(13)6-3-10/h2-3,5-6,9,15H,4,7-8H2,1H3,(H,14,16)
InChIKeyLKAMAYWXKJEHFB-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.26
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide

3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide (PubChem CID 43418758) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
PubChem CID43418758
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
SMILESCC(CO)NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-9(8-15)14-12(16)7-4-10-2-5-11(13)6-3-10/h2-3,5-6,9,15H,4,7-8H2,1H3,(H,14,16)
InChIKeyLKAMAYWXKJEHFB-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

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CID 94870735
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CID 95901327
3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
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3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
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3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide
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2-[3-(4-fluorophenyl)propanoylamino]-4-methylpentanoic acid
CID 43092855
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide
CID 38610317
3-(3-chloro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
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3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide
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5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide (CID 43418758) is 3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide is CC(CO)NC(=O)CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide?
The InChIKey is LKAMAYWXKJEHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9(8-15)14-12(16)7-4-10-2-5-11(13)6-3-10/h2-3,5-6,9,15H,4,7-8H2,1H3,(H,14,16).
What are the key properties of 3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide?
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)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-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide is sourced from PubChem (CID 43418758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).