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

C19H18F3NO2 — CID 11439486

IUPAC(3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
SMILESCc1ccccc1[C@]1(O)C(=O)N([C@@H](C)c2ccccc2)[C@H]1C(F)(F)F
InChIInChI=1S/C19H18F3NO2/c1-12-8-6-7-11-15(12)18(25)16(19(20,21)22)23(17(18)24)13(2)14-9-4-3-5-10-14/h3-11,13,16,25H,1-2H3/t13-,16+,18+/m0/s1
InChIKeyJKEFFQNUYHTLSS-FDQGKXFDSA-N
MW349.35 g/mol
LogP3.72
Rot. Bonds3

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

(3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one (PubChem CID 11439486) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is (3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
PubChem CID11439486
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name(3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
SMILESCc1ccccc1[C@]1(O)C(=O)N([C@@H](C)c2ccccc2)[C@H]1C(F)(F)F
InChIInChI=1S/C19H18F3NO2/c1-12-8-6-7-11-15(12)18(25)16(19(20,21)22)23(17(18)24)13(2)14-9-4-3-5-10-14/h3-11,13,16,25H,1-2H3/t13-,16+,18+/m0/s1
InChIKeyJKEFFQNUYHTLSS-FDQGKXFDSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(3S,4R)-3-methyl-1-[(1R)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
CID 162539166
(4R)-6-chloro-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1,4-dihydroquinazolin-2-one
CID 10904359
4-hydroxy-1-(1-phenylethyl)-3-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 21219501
[2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate
CID 67705047
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 10597583
(4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 99770501
(6S)-6-methyl-6-(2-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
CID 68725837
(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
[2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate
CID 22901647
(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile
CID 21219514
[(3S)-2-(4-fluorophenyl)-4-oxo-1-(1-phenylethyl)azetidin-3-yl] acetate
CID 54404582

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one (CID 11439486) is (3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one is Cc1ccccc1[C@]1(O)C(=O)N([C@@H](C)c2ccccc2)[C@H]1C(F)(F)F.
What is the InChIKey of (3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one?
The InChIKey is JKEFFQNUYHTLSS-FDQGKXFDSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-12-8-6-7-11-15(12)18(25)16(19(20,21)22)23(17(18)24)13(2)14-9-4-3-5-10-14/h3-11,13,16,25H,1-2H3/t13-,16+,18+/m0/s1.
What are the key properties of (3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one?
(3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one has a molecular weight of 349.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-hydroxy-3-(2-methylphenyl)-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one is sourced from PubChem (CID 11439486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).