[4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid

C17H15FN2O3 — CID 118915605

IUPAC[4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid
SMILESO=C1NCC1N(Cc1ccc(-c2ccccc2F)cc1)C(=O)O
InChIInChI=1S/C17H15FN2O3/c18-14-4-2-1-3-13(14)12-7-5-11(6-8-12)10-20(17(22)23)15-9-19-16(15)21/h1-8,15H,9-10H2,(H,19,21)(H,22,23)
InChIKeyROHYQTLPRGJMNN-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.47
Rot. Bonds4

About [4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid

[4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid (PubChem CID 118915605) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is [4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid.

Molecular Properties

Compound Name[4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid
PubChem CID118915605
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name[4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid
SMILESO=C1NCC1N(Cc1ccc(-c2ccccc2F)cc1)C(=O)O
InChIInChI=1S/C17H15FN2O3/c18-14-4-2-1-3-13(14)12-7-5-11(6-8-12)10-20(17(22)23)15-9-19-16(15)21/h1-8,15H,9-10H2,(H,19,21)(H,22,23)
InChIKeyROHYQTLPRGJMNN-UHFFFAOYSA-N
XLogP2.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid?
The IUPAC name of [4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid (CID 118915605) is [4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid.
What is the SMILES notation for [4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid?
The canonical SMILES for [4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid is O=C1NCC1N(Cc1ccc(-c2ccccc2F)cc1)C(=O)O.
What is the InChIKey of [4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid?
The InChIKey is ROHYQTLPRGJMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-14-4-2-1-3-13(14)12-7-5-11(6-8-12)10-20(17(22)23)15-9-19-16(15)21/h1-8,15H,9-10H2,(H,19,21)(H,22,23).
What are the key properties of [4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid?
[4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid has a molecular weight of 314.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid is sourced from PubChem (CID 118915605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).