oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate

C14H16FNO4 — CID 60568275

IUPACoxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate
SMILESCC(=O)Nc1ccc(F)c(C(=O)OCC2CCCO2)c1
InChIInChI=1S/C14H16FNO4/c1-9(17)16-10-4-5-13(15)12(7-10)14(18)20-8-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyJNTMSKCBYOULBC-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.12
Rot. Bonds4

About oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate

oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate (PubChem CID 60568275) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate
PubChem CID60568275
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Nameoxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate
SMILESCC(=O)Nc1ccc(F)c(C(=O)OCC2CCCO2)c1
InChIInChI=1S/C14H16FNO4/c1-9(17)16-10-4-5-13(15)12(7-10)14(18)20-8-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyJNTMSKCBYOULBC-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 2-fluoro-5-sulfanylbenzoate
CID 107018460
oxolan-2-ylmethyl 3-acetamido-4-fluorobenzoate
CID 60568461
oxolan-2-ylmethyl 5-amino-2,4-difluorobenzoate
CID 61279294
oxolan-2-ylmethyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
CID 71887688
[(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
CID 97007291
oxan-2-ylmethyl 2,4-difluoro-5-(2-methylpropanoylamino)benzoate
CID 102558220
[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate
CID 27077124
oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate
CID 115645384
oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate
CID 71988295
oxan-2-ylmethyl 3-amino-4-fluorobenzoate
CID 61279862
but-2-enyl 5-acetamido-2-fluorobenzoate
CID 76868997
2-O-(oxolan-2-ylmethyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6421085

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate?
The IUPAC name of oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate (CID 60568275) is oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate.
What is the SMILES notation for oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate?
The canonical SMILES for oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate is CC(=O)Nc1ccc(F)c(C(=O)OCC2CCCO2)c1.
What is the InChIKey of oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate?
The InChIKey is JNTMSKCBYOULBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-9(17)16-10-4-5-13(15)12(7-10)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 5-acetamido-2-fluorobenzoate?
oxolan-2-ylmethyl 5-acetamido-2-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 5-acetamido-2-fluorobenzoate is sourced from PubChem (CID 60568275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).