(3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one

C25H18ClF3N2O3 — CID 102346099

IUPAC(3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one
SMILESCN1C(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3cc(Cl)ccc32)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C25H18ClF3N2O3/c1-30-19-10-7-15(25(27,28)29)11-17(19)21(22(30)32)24(34)18-9-8-16(26)12-20(18)31(23(24)33)13-14-5-3-2-4-6-14/h2-12,21,34H,13H2,1H3/t21-,24+/m0/s1
InChIKeyLZCDSPHVFOLKLH-XUZZJYLKSA-N
MW486.88 g/mol
LogP4.85
Rot. Bonds3

About (3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one

(3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one (PubChem CID 102346099) has the molecular formula C25H18ClF3N2O3 and a molecular weight of 486.88 g/mol. Its IUPAC name is (3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one
PubChem CID102346099
Molecular FormulaC25H18ClF3N2O3
Molecular Weight486.88 g/mol
Exact Mass486.10
IUPAC Name(3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one
SMILESCN1C(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3cc(Cl)ccc32)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C25H18ClF3N2O3/c1-30-19-10-7-15(25(27,28)29)11-17(19)21(22(30)32)24(34)18-9-8-16(26)12-20(18)31(23(24)33)13-14-5-3-2-4-6-14/h2-12,21,34H,13H2,1H3/t21-,24+/m0/s1
InChIKeyLZCDSPHVFOLKLH-XUZZJYLKSA-N
XLogP4.85
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.88
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]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

3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one
CID 71729335
3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one
CID 102325825
1-benzyl-6-chloro-3-hydroxy-3-(2-methylprop-2-enyl)indol-2-one
CID 162398533
3-benzyl-5-chloro-1-methyl-3H-indol-2-one
CID 11043888
1-benzyl-3-(iodomethyl)-3-phenyl-5-(trifluoromethyl)indol-2-one
CID 138984763
(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 139255434
1-benzyl-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-chloro-3-hydroxyindol-2-one
CID 15999842
3-(4-chloro-2-hydroxyphenyl)-3-hydroxy-1-methyl-6-(trifluoromethyl)indol-2-one
CID 102119601
1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-3H-indol-2-one
CID 102339891
5-chloro-1-methyl-3-phenyl-3H-indol-2-one
CID 56690292
1-benzyl-5-chloro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 66522994
(3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 95731462

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one?
The IUPAC name of (3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one (CID 102346099) is (3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one.
What is the SMILES notation for (3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one?
The canonical SMILES for (3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one is CN1C(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3cc(Cl)ccc32)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of (3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one?
The InChIKey is LZCDSPHVFOLKLH-XUZZJYLKSA-N. The full InChI is InChI=1S/C25H18ClF3N2O3/c1-30-19-10-7-15(25(27,28)29)11-17(19)21(22(30)32)24(34)18-9-8-16(26)12-20(18)31(23(24)33)13-14-5-3-2-4-6-14/h2-12,21,34H,13H2,1H3/t21-,24+/m0/s1.
What are the key properties of (3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one?
(3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one has a molecular weight of 486.88 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one is sourced from PubChem (CID 102346099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).