oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate

C14H16FNO4 — CID 60568461

IUPACoxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate
SMILESCC(=O)Nc1cc(C(=O)OCC2CCCO2)ccc1F
InChIInChI=1S/C14H16FNO4/c1-9(17)16-13-7-10(4-5-12(13)15)14(18)20-8-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyZMYCEUCTUFRVGC-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.12
Rot. Bonds4

About oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate

oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate (PubChem CID 60568461) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate
PubChem CID60568461
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Nameoxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate
SMILESCC(=O)Nc1cc(C(=O)OCC2CCCO2)ccc1F
InChIInChI=1S/C14H16FNO4/c1-9(17)16-13-7-10(4-5-12(13)15)14(18)20-8-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyZMYCEUCTUFRVGC-UHFFFAOYSA-N
XLogP2.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate
CID 60568275
oxan-2-ylmethyl 3-amino-4-fluorobenzoate
CID 61279862
(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95286084
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
oxolan-2-ylmethyl 2-fluoro-5-sulfanylbenzoate
CID 107018460
N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
CID 18070263
oxan-2-ylmethyl 3-amino-4-methylbenzoate
CID 60730857
oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 86913835
N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 97053400
oxan-2-ylmethyl 2,4-difluoro-5-(2-methylpropanoylamino)benzoate
CID 102558220
2-butoxyethyl 3-acetamido-4-fluorobenzoate
CID 52736601
oxolan-2-ylmethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 42915424

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate?
The IUPAC name of oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate (CID 60568461) is oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate.
What is the SMILES notation for oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate?
The canonical SMILES for oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate is CC(=O)Nc1cc(C(=O)OCC2CCCO2)ccc1F.
What is the InChIKey of oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate?
The InChIKey is ZMYCEUCTUFRVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-9(17)16-13-7-10(4-5-12(13)15)14(18)20-8-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,16,17).
What are the key properties of oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate?
oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate has a molecular weight of 281.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate is sourced from PubChem (CID 60568461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).