(3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid

C17H15FN2O3 — CID 118915559

IUPAC(3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
SMILESO=C1NC[C@@H]1N(Cc1ccc(-c2ccccc2)c(F)c1)C(=O)O
InChIInChI=1S/C17H15FN2O3/c18-14-8-11(6-7-13(14)12-4-2-1-3-5-12)10-20(17(22)23)15-9-19-16(15)21/h1-8,15H,9-10H2,(H,19,21)(H,22,23)/t15-/m0/s1
InChIKeyGTPJLFGBPLQVSF-HNNXBMFYSA-N
MW314.32 g/mol
LogP2.47
Rot. Bonds4

About (3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid

(3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid (PubChem CID 118915559) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is (3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name(3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
PubChem CID118915559
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name(3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
SMILESO=C1NC[C@@H]1N(Cc1ccc(-c2ccccc2)c(F)c1)C(=O)O
InChIInChI=1S/C17H15FN2O3/c18-14-8-11(6-7-13(14)12-4-2-1-3-5-12)10-20(17(22)23)15-9-19-16(15)21/h1-8,15H,9-10H2,(H,19,21)(H,22,23)/t15-/m0/s1
InChIKeyGTPJLFGBPLQVSF-HNNXBMFYSA-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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Related Compounds

[4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid
CID 118915605
[4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
CID 90425364
(2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid
CID 90425035
[4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 131746516
4-(3-fluoro-4-phenylphenyl)butan-1-ol
CID 172805530
2-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)benzamide
CID 42699399
carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene
CID 121300210
[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid
CID 90424935
(4-fluoro-2-phenylphenyl)-[[(3S)-pyrrolidin-3-yl]methyl]carbamic acid
CID 121411484
(3-fluoro-4-phenylphenyl)methyl 4-(2-oxo-5-propylpyrrolidin-3-yl)butanoate
CID 123633673
2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene
CID 20663568
octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
CID 118915637

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The IUPAC name of (3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid (CID 118915559) is (3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid.
What is the SMILES notation for (3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The canonical SMILES for (3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid is O=C1NC[C@@H]1N(Cc1ccc(-c2ccccc2)c(F)c1)C(=O)O.
What is the InChIKey of (3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The InChIKey is GTPJLFGBPLQVSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-14-8-11(6-7-13(14)12-4-2-1-3-5-12)10-20(17(22)23)15-9-19-16(15)21/h1-8,15H,9-10H2,(H,19,21)(H,22,23)/t15-/m0/s1.
What are the key properties of (3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
(3-fluoro-4-phenylphenyl)methyl-[(3S)-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 (3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid is sourced from PubChem (CID 118915559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).