3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide

C18H22FNO3 — CID 111481480

IUPAC3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
SMILESCc1ccc(C(C)(O)CNC(=O)CC(C)c2cccc(F)c2)o1
InChIInChI=1S/C18H22FNO3/c1-12(14-5-4-6-15(19)10-14)9-17(21)20-11-18(3,22)16-8-7-13(2)23-16/h4-8,10,12,22H,9,11H2,1-3H3,(H,20,21)
InChIKeySXEGYWXZSDSCEW-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.24
Rot. Bonds6

About 3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide

3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide (PubChem CID 111481480) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
PubChem CID111481480
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
SMILESCc1ccc(C(C)(O)CNC(=O)CC(C)c2cccc(F)c2)o1
InChIInChI=1S/C18H22FNO3/c1-12(14-5-4-6-15(19)10-14)9-17(21)20-11-18(3,22)16-8-7-13(2)23-16/h4-8,10,12,22H,9,11H2,1-3H3,(H,20,21)
InChIKeySXEGYWXZSDSCEW-UHFFFAOYSA-N
XLogP3.24
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481585
(Z)-3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]but-2-enamide
CID 111481361
3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543
N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119641244
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide
CID 111478844
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472998
4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 111481140
N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111481264
N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
1-(2-chloro-5-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111474596
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide
CID 111481295

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide (CID 111481480) is 3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide is Cc1ccc(C(C)(O)CNC(=O)CC(C)c2cccc(F)c2)o1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide?
The InChIKey is SXEGYWXZSDSCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c1-12(14-5-4-6-15(19)10-14)9-17(21)20-11-18(3,22)16-8-7-13(2)23-16/h4-8,10,12,22H,9,11H2,1-3H3,(H,20,21).
What are the key properties of 3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide?
3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide has a molecular weight of 319.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide is sourced from PubChem (CID 111481480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).