(3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide

C15H20FNO3 — CID 95972631

IUPAC(3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide
SMILESCC[C@@H](CNC(=O)[C@@H]1CCOC1)Oc1ccccc1F
InChIInChI=1S/C15H20FNO3/c1-2-12(20-14-6-4-3-5-13(14)16)9-17-15(18)11-7-8-19-10-11/h3-6,11-12H,2,7-10H2,1H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyFSVUBHGYNGDBTC-NEPJUHHUSA-N
MW281.33 g/mol
LogP2.14
Rot. Bonds6

About (3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide

(3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide (PubChem CID 95972631) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide
PubChem CID95972631
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide
SMILESCC[C@@H](CNC(=O)[C@@H]1CCOC1)Oc1ccccc1F
InChIInChI=1S/C15H20FNO3/c1-2-12(20-14-6-4-3-5-13(14)16)9-17-15(18)11-7-8-19-10-11/h3-6,11-12H,2,7-10H2,1H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyFSVUBHGYNGDBTC-NEPJUHHUSA-N
XLogP2.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenoxy)butyl]morpholine-3-carboxamide
CID 119813317
N-[2-(2-fluorophenoxy)butyl]oxolane-2-carboxamide
CID 71863283
N-[(2S)-2-[2-(trifluoromethyl)phenoxy]butyl]oxane-4-carboxamide
CID 97016575
3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride
CID 119813328
(3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972675
2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187038
3-[2-(2-fluorophenoxy)butyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382210
3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119813326
2-amino-N-[2-(2-fluorophenoxy)butyl]acetamide;hydrochloride
CID 119340592
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
(3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide
CID 97025731

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide (CID 95972631) is (3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide is CC[C@@H](CNC(=O)[C@@H]1CCOC1)Oc1ccccc1F.
What is the InChIKey of (3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide?
The InChIKey is FSVUBHGYNGDBTC-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-2-12(20-14-6-4-3-5-13(14)16)9-17-15(18)11-7-8-19-10-11/h3-6,11-12H,2,7-10H2,1H3,(H,17,18)/t11-,12+/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide?
(3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide is sourced from PubChem (CID 95972631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).