(3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one

C20H20F3NO2 — CID 102376897

IUPAC(3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@](C)(OCc2ccccc2)[C@@H]1C(F)(F)F
InChIInChI=1S/C20H20F3NO2/c1-14(16-11-7-4-8-12-16)24-17(20(21,22)23)19(2,18(24)25)26-13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3/t14-,17+,19+/m0/s1
InChIKeyZEDPRBFTVIHQBI-POZUXBRTSA-N
MW363.38 g/mol
LogP4.50
Rot. Bonds5

About (3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one

(3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one (PubChem CID 102376897) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is (3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
PubChem CID102376897
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name(3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@](C)(OCc2ccccc2)[C@@H]1C(F)(F)F
InChIInChI=1S/C20H20F3NO2/c1-14(16-11-7-4-8-12-16)24-17(20(21,22)23)19(2,18(24)25)26-13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3/t14-,17+,19+/m0/s1
InChIKeyZEDPRBFTVIHQBI-POZUXBRTSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2366548
1-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-ethanone
CID 44307089
COX inhibitor, 8
CID 11021865
methyl (E)-2-[[(3S,4R)-3-methoxy-2-oxo-4-[2-(trifluoromethyl)phenyl]azetidin-1-yl]methyl]-3-phenylprop-2-enoate
CID 134148201
ethyl (E)-2-[[(2R,3S)-2-(4-fluorophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enoate
CID 134151932
methyl (E)-2-[[(2R,3S)-2-(4-fluorophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enoate
CID 134152932
methyl (E)-2-[[(2R,3S)-2-(3-fluorophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enoate
CID 134156342
(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
(3S,4S)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10617763
(3S,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 134835524
(2S)-1-[(2S,4S,6S)-2,4-dimethyl-6-phenylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
CID 139089491
(3R,4S)-1-hexyl-3-methoxy-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 162413150

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one (CID 102376897) is (3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one is C[C@@H](c1ccccc1)N1C(=O)[C@](C)(OCc2ccccc2)[C@@H]1C(F)(F)F.
What is the InChIKey of (3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one?
The InChIKey is ZEDPRBFTVIHQBI-POZUXBRTSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-14(16-11-7-4-8-12-16)24-17(20(21,22)23)19(2,18(24)25)26-13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3/t14-,17+,19+/m0/s1.
What are the key properties of (3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one?
(3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one has a molecular weight of 363.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one is sourced from PubChem (CID 102376897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).