[2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate

C19H18FNO3 — CID 21477817

IUPAC[2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate
SMILESCC(=O)OC1C(=O)N(C(C)c2ccccc2)C1c1ccccc1F
InChIInChI=1S/C19H18FNO3/c1-12(14-8-4-3-5-9-14)21-17(15-10-6-7-11-16(15)20)18(19(21)23)24-13(2)22/h3-12,17-18H,1-2H3
InChIKeyKIAIELAPGQIEPV-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.40
Rot. Bonds4

About [2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate

[2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate (PubChem CID 21477817) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate
PubChem CID21477817
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name[2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate
SMILESCC(=O)OC1C(=O)N(C(C)c2ccccc2)C1c1ccccc1F
InChIInChI=1S/C19H18FNO3/c1-12(14-8-4-3-5-9-14)21-17(15-10-6-7-11-16(15)20)18(19(21)23)24-13(2)22/h3-12,17-18H,1-2H3
InChIKeyKIAIELAPGQIEPV-UHFFFAOYSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2366548
[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 4333683
[2-Oxo-2-(1-phenylethylamino)ethyl] cyclohexanecarboxylate
CID 4395063
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 2368876
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 5192579
(3R,4S)-1-Benzoyl-3-(1-ethoxyethoxy)-4-phenylazetidin-2-one
CID 10969830
[2-Oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate
CID 24980945
[2-Oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate
CID 3603162
1-Benzyl-2-(4-methylphenyl)-4-oxo-3-azetidinyl acetate
CID 4231036
[(2R,3R)-4-oxo-2-phenyl-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-3-yl] cyclopropanecarboxylate
CID 72714164
(Z)-2-[[(2R,3S)-3-methoxy-2-(4-methylphenyl)-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enenitrile
CID 134138827
(Z)-2-[[(2R,3S)-2-(4-fluorophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enenitrile
CID 134140894

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate?
The IUPAC name of [2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate (CID 21477817) is [2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate.
What is the SMILES notation for [2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate?
The canonical SMILES for [2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate is CC(=O)OC1C(=O)N(C(C)c2ccccc2)C1c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate?
The InChIKey is KIAIELAPGQIEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-12(14-8-4-3-5-9-14)21-17(15-10-6-7-11-16(15)20)18(19(21)23)24-13(2)22/h3-12,17-18H,1-2H3.
What are the key properties of [2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate?
[2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate has a molecular weight of 327.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate is sourced from PubChem (CID 21477817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).