(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one

C25H20FNO3 — CID 26413998

IUPAC(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
SMILESO=C1c2ccccc2CC[C@@H]1[C@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C25H20FNO3/c26-18-12-9-16(10-13-18)15-27-22-8-4-3-7-20(22)25(30,24(27)29)21-14-11-17-5-1-2-6-19(17)23(21)28/h1-10,12-13,21,30H,11,14-15H2/t21-,25-/m0/s1
InChIKeyKYGMCZAAGMBXLL-OFVILXPXSA-N
MW401.44 g/mol
LogP4.01
Rot. Bonds3

About (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one

(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one (PubChem CID 26413998) has the molecular formula C25H20FNO3 and a molecular weight of 401.44 g/mol. Its IUPAC name is (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one.

Molecular Properties

Compound Name(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
PubChem CID26413998
Molecular FormulaC25H20FNO3
Molecular Weight401.44 g/mol
Exact Mass401.14
IUPAC Name(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
SMILESO=C1c2ccccc2CC[C@@H]1[C@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C25H20FNO3/c26-18-12-9-16(10-13-18)15-27-22-8-4-3-7-20(22)25(30,24(27)29)21-14-11-17-5-1-2-6-19(17)23(21)28/h1-10,12-13,21,30H,11,14-15H2/t21-,25-/m0/s1
InChIKeyKYGMCZAAGMBXLL-OFVILXPXSA-N
XLogP4.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 17077719
3-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 17131208
(3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 723557
(3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 7288202
3-(5-tert-butyl-2-oxocyclohexyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 17138860
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(1S,5R)-5-(2-methylbutan-2-yl)-2-oxocyclohexyl]indol-2-one
CID 42587326
(3S)-5-bromo-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1-(thiophen-2-ylmethyl)indol-2-one
CID 41281297
6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
CID 175039015
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(pyridin-4-ylmethyl)indol-2-one
CID 7328364
(3R)-3-[(1R,5R)-5-tert-butyl-2-oxocyclohexyl]-1-[(4-chlorophenyl)methyl]-3-hydroxyindol-2-one
CID 100824232

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one (CID 26413998) is (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one.
What is the SMILES notation for (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The canonical SMILES for (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one is O=C1c2ccccc2CC[C@@H]1[C@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The InChIKey is KYGMCZAAGMBXLL-OFVILXPXSA-N. The full InChI is InChI=1S/C25H20FNO3/c26-18-12-9-16(10-13-18)15-27-22-8-4-3-7-20(22)25(30,24(27)29)21-14-11-17-5-1-2-6-19(17)23(21)28/h1-10,12-13,21,30H,11,14-15H2/t21-,25-/m0/s1.
What are the key properties of (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one has a molecular weight of 401.44 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one is sourced from PubChem (CID 26413998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).