[4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate

C17H15FN2O3 — CID 131746516

IUPAC[4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESCN(C(=O)Oc1ccc(-c2ccccc2F)cc1)[C@H]1CNC1=O
InChIInChI=1S/C17H15FN2O3/c1-20(15-10-19-16(15)21)17(22)23-12-8-6-11(7-9-12)13-4-2-3-5-14(13)18/h2-9,15H,10H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyMISCNUXJKMUXGY-HNNXBMFYSA-N
MW314.32 g/mol
LogP2.42
Rot. Bonds3

About [4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate

[4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate (PubChem CID 131746516) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is [4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Name[4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
PubChem CID131746516
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name[4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESCN(C(=O)Oc1ccc(-c2ccccc2F)cc1)[C@H]1CNC1=O
InChIInChI=1S/C17H15FN2O3/c1-20(15-10-19-16(15)21)17(22)23-12-8-6-11(7-9-12)13-4-2-3-5-14(13)18/h2-9,15H,10H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyMISCNUXJKMUXGY-HNNXBMFYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The IUPAC name of [4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate (CID 131746516) is [4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for [4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The canonical SMILES for [4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate is CN(C(=O)Oc1ccc(-c2ccccc2F)cc1)[C@H]1CNC1=O.
What is the InChIKey of [4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The InChIKey is MISCNUXJKMUXGY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-20(15-10-19-16(15)21)17(22)23-12-8-6-11(7-9-12)13-4-2-3-5-14(13)18/h2-9,15H,10H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of [4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
[4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate has a molecular weight of 314.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 131746516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).