N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide

C12H14FNO2 — CID 126789596

IUPACN-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
SMILESO=C(C[C@H]1CCOC1)Nc1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-10-1-3-11(4-2-10)14-12(15)7-9-5-6-16-8-9/h1-4,9H,5-8H2,(H,14,15)/t9-/m1/s1
InChIKeyMBIGETHTQNJNOF-SECBINFHSA-N
MW223.25 g/mol
LogP2.19
Rot. Bonds3

About N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide

N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide (PubChem CID 126789596) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
PubChem CID126789596
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC NameN-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
SMILESO=C(C[C@H]1CCOC1)Nc1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-10-1-3-11(4-2-10)14-12(15)7-9-5-6-16-8-9/h1-4,9H,5-8H2,(H,14,15)/t9-/m1/s1
InChIKeyMBIGETHTQNJNOF-SECBINFHSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid
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2-(oxan-4-yl)-N-phenylacetamide
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2-(oxetan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
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N-(4-fluorophenyl)-2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetamide
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2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088
N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 110863603
N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 126429340
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
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2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide (CID 126789596) is N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide is O=C(C[C@H]1CCOC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide?
The InChIKey is MBIGETHTQNJNOF-SECBINFHSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-1-3-11(4-2-10)14-12(15)7-9-5-6-16-8-9/h1-4,9H,5-8H2,(H,14,15)/t9-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide?
N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide has a molecular weight of 223.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide is sourced from PubChem (CID 126789596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).