(3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one

C21H14ClF2NO2 — CID 139255433

IUPAC(3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
SMILESO=C1N(Cc2ccc(F)cc2)c2ccc(Cl)cc2[C@]1(O)c1ccc(F)cc1
InChIInChI=1S/C21H14ClF2NO2/c22-15-5-10-19-18(11-15)21(27,14-3-8-17(24)9-4-14)20(26)25(19)12-13-1-6-16(23)7-2-13/h1-11,27H,12H2/t21-/m1/s1
InChIKeyPTIGJRTYIRCPOJ-OAQYLSRUSA-N
MW385.80 g/mol
LogP4.40
Rot. Bonds3

About (3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one

(3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one (PubChem CID 139255433) has the molecular formula C21H14ClF2NO2 and a molecular weight of 385.80 g/mol. Its IUPAC name is (3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one.

Molecular Properties

Compound Name(3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
PubChem CID139255433
Molecular FormulaC21H14ClF2NO2
Molecular Weight385.80 g/mol
Exact Mass385.07
IUPAC Name(3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
SMILESO=C1N(Cc2ccc(F)cc2)c2ccc(Cl)cc2[C@]1(O)c1ccc(F)cc1
InChIInChI=1S/C21H14ClF2NO2/c22-15-5-10-19-18(11-15)21(27,14-3-8-17(24)9-4-14)20(26)25(19)12-13-1-6-16(23)7-2-13/h1-11,27H,12H2/t21-/m1/s1
InChIKeyPTIGJRTYIRCPOJ-OAQYLSRUSA-N
XLogP4.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Chloro-3-hydroxy-3-(trifluoromethyl)indolin-2-one
CID 11836404
1-Benzyl-3-hydroxy-3-phenyl-1,3-dihydro-indol-2-one
CID 11141594
1-Acetyl-5-chloro-3-hydroxy-3-(trifluoromethyl)indolin-2-one
CID 49769448
3-[2-(4-Chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-EN-1-YL)indol-2-one
CID 2925037
1-(4-chlorobenzyl)-3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2949587
5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 15991254
1-(4-Chlorobenzyl)-3-hydroxy-3-phenylindolin-2-one
CID 12004278
3-benzyl-5-(4-chloroanilino)-3-hydroxy-1H-indol-2-one
CID 141465866
5-chloro-3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 2924925
5-chloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 4642408
5-chloro-3-hydroxy-1-(2-methylbenzyl)-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 16034437
1-[(1-Benzylpiperidin-4-yl)methyl]-3-hydroxy-3-phenylindol-2-one
CID 155550824

Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one?
The IUPAC name of (3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one (CID 139255433) is (3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one.
What is the SMILES notation for (3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one?
The canonical SMILES for (3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one is O=C1N(Cc2ccc(F)cc2)c2ccc(Cl)cc2[C@]1(O)c1ccc(F)cc1.
What is the InChIKey of (3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one?
The InChIKey is PTIGJRTYIRCPOJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H14ClF2NO2/c22-15-5-10-19-18(11-15)21(27,14-3-8-17(24)9-4-14)20(26)25(19)12-13-1-6-16(23)7-2-13/h1-11,27H,12H2/t21-/m1/s1.
What are the key properties of (3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one?
(3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one has a molecular weight of 385.80 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 139255433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).