(3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one

C28H20F3NO3 — CID 40823101

IUPAC(3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C28H20F3NO3/c29-28(30,31)22-9-5-6-18(14-22)17-32-24-11-4-3-10-23(24)27(35,26(32)34)16-25(33)21-13-12-19-7-1-2-8-20(19)15-21/h1-15,35H,16-17H2/t27-/m1/s1
InChIKeyVKDZZHFSHYXXRF-HHHXNRCGSA-N
MW475.47 g/mol
LogP5.87
Rot. Bonds5

About (3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one

(3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one (PubChem CID 40823101) has the molecular formula C28H20F3NO3 and a molecular weight of 475.47 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
PubChem CID40823101
Molecular FormulaC28H20F3NO3
Molecular Weight475.47 g/mol
Exact Mass475.14
IUPAC Name(3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C28H20F3NO3/c29-28(30,31)22-9-5-6-18(14-22)17-32-24-11-4-3-10-23(24)27(35,26(32)34)16-25(33)21-13-12-19-7-1-2-8-20(19)15-21/h1-15,35H,16-17H2/t27-/m1/s1
InChIKeyVKDZZHFSHYXXRF-HHHXNRCGSA-N
XLogP5.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.47
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-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

(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
CID 42559576
(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 95244688
1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 5127971
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one
CID 17078033
(3R)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 27522911
1-[(3-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 3442140
1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 3708418
3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 45259080
(3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 1255704
(3R)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 1255705
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one
CID 3598775

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one (CID 40823101) is (3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one is O=C(C[C@]1(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21)c1ccc2ccccc2c1.
What is the InChIKey of (3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one?
The InChIKey is VKDZZHFSHYXXRF-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H20F3NO3/c29-28(30,31)22-9-5-6-18(14-22)17-32-24-11-4-3-10-23(24)27(35,26(32)34)16-25(33)21-13-12-19-7-1-2-8-20(19)15-21/h1-15,35H,16-17H2/t27-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one?
(3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one has a molecular weight of 475.47 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one is sourced from PubChem (CID 40823101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).