3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide

C15H20FNO3 — CID 79039118

IUPAC3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC1(O)CCOCC1
InChIInChI=1S/C15H20FNO3/c16-13-4-1-12(2-5-13)3-6-14(18)17-11-15(19)7-9-20-10-8-15/h1-2,4-5,19H,3,6-11H2,(H,17,18)
InChIKeyAREAQBYTVCUQKO-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.42
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide

3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide (PubChem CID 79039118) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
PubChem CID79039118
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCC1(O)CCOCC1
InChIInChI=1S/C15H20FNO3/c16-13-4-1-12(2-5-13)3-6-14(18)17-11-15(19)7-9-20-10-8-15/h1-2,4-5,19H,3,6-11H2,(H,17,18)
InChIKeyAREAQBYTVCUQKO-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
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3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
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3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
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N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
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2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
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N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
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N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
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1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
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N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide (CID 79039118) is 3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide is O=C(CCc1ccc(F)cc1)NCC1(O)CCOCC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The InChIKey is AREAQBYTVCUQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c16-13-4-1-12(2-5-13)3-6-14(18)17-11-15(19)7-9-20-10-8-15/h1-2,4-5,19H,3,6-11H2,(H,17,18).
What are the key properties of 3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide has a molecular weight of 281.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide is sourced from PubChem (CID 79039118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).