4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide

C15H20FNO3 — CID 91763561

IUPAC4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide
SMILESO=C(CCCc1ccc(F)cc1)N[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C15H20FNO3/c16-12-6-4-11(5-7-12)2-1-3-15(19)17-13-8-9-20-10-14(13)18/h4-7,13-14,18H,1-3,8-10H2,(H,17,19)/t13-,14-/m1/s1
InChIKeyXHULDJYOOXKKAN-ZIAGYGMSSA-N
MW281.33 g/mol
LogP1.41
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide

4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide (PubChem CID 91763561) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide
PubChem CID91763561
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide
SMILESO=C(CCCc1ccc(F)cc1)N[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C15H20FNO3/c16-12-6-4-11(5-7-12)2-1-3-15(19)17-13-8-9-20-10-14(13)18/h4-7,13-14,18H,1-3,8-10H2,(H,17,19)/t13-,14-/m1/s1
InChIKeyXHULDJYOOXKKAN-ZIAGYGMSSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide
CID 91788204
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide
CID 91797072
4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712334
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide
CID 155996080
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide
CID 110125855
N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide
CID 133267954
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide
CID 157013290
5-(4-fluorophenyl)-N-formylpentanamide
CID 145350810
1-[(3-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxyoxan-4-yl]urea
CID 91768630
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63099712
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 91785336

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide (CID 91763561) is 4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide is O=C(CCCc1ccc(F)cc1)N[C@@H]1CCOC[C@H]1O.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide?
The InChIKey is XHULDJYOOXKKAN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H20FNO3/c16-12-6-4-11(5-7-12)2-1-3-15(19)17-13-8-9-20-10-14(13)18/h4-7,13-14,18H,1-3,8-10H2,(H,17,19)/t13-,14-/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide?
4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide has a molecular weight of 281.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide is sourced from PubChem (CID 91763561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).