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

C19H18FNO3 — CID 67627819

IUPAC[2-(4-fluorophenyl)-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate
SMILESCC(=O)OC1C(=O)N([C@@H](C)c2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H18FNO3/c1-12(14-6-4-3-5-7-14)21-17(15-8-10-16(20)11-9-15)18(19(21)23)24-13(2)22/h3-12,17-18H,1-2H3/t12-,17?,18?/m0/s1
InChIKeyVPTVQNGRUBGVFD-KAMYHZANSA-N
MW327.36 g/mol
LogP3.40
Rot. Bonds4

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

[2-(4-fluorophenyl)-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate (PubChem CID 67627819) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate
PubChem CID67627819
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name[2-(4-fluorophenyl)-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate
SMILESCC(=O)OC1C(=O)N([C@@H](C)c2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H18FNO3/c1-12(14-6-4-3-5-7-14)21-17(15-8-10-16(20)11-9-15)18(19(21)23)24-13(2)22/h3-12,17-18H,1-2H3/t12-,17?,18?/m0/s1
InChIKeyVPTVQNGRUBGVFD-KAMYHZANSA-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

CID 2366548
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CID 4333683
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CID 4395063
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CID 2368876
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CID 5192579
CID 5192579
CID 10969830
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CID 24980945
CID 24980945
CID 3603162
CID 3603162
CID 4231036
CID 4231036
CID 72714164
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CID 134138827
CID 134138827
CID 134140894
CID 134140894

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate?
The IUPAC name of [2-(4-fluorophenyl)-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate (CID 67627819) is [2-(4-fluorophenyl)-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate?
The canonical SMILES for [2-(4-fluorophenyl)-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate is CC(=O)OC1C(=O)N([C@@H](C)c2ccccc2)C1c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate?
The InChIKey is VPTVQNGRUBGVFD-KAMYHZANSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-12(14-6-4-3-5-7-14)21-17(15-8-10-16(20)11-9-15)18(19(21)23)24-13(2)22/h3-12,17-18H,1-2H3/t12-,17?,18?/m0/s1.
What are the key properties of [2-(4-fluorophenyl)-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate?
[2-(4-fluorophenyl)-4-oxo-1-[(1S)-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-(4-fluorophenyl)-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate is sourced from PubChem (CID 67627819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).