(2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one

C22H15FN2O2 — CID 135032572

IUPAC(2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one
SMILESO=C1c2ccccc2N(O)[C@@]1(c1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H15FN2O2/c23-15-11-9-14(10-12-15)22(18-13-24-19-7-3-1-5-16(18)19)21(26)17-6-2-4-8-20(17)25(22)27/h1-13,24,27H/t22-/m0/s1
InChIKeyTXGWUIWHIDVJLF-QFIPXVFZSA-N
MW358.37 g/mol
LogP4.64
Rot. Bonds2

About (2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one

(2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one (PubChem CID 135032572) has the molecular formula C22H15FN2O2 and a molecular weight of 358.37 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one
PubChem CID135032572
Molecular FormulaC22H15FN2O2
Molecular Weight358.37 g/mol
Exact Mass358.11
IUPAC Name(2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one
SMILESO=C1c2ccccc2N(O)[C@@]1(c1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H15FN2O2/c23-15-11-9-14(10-12-15)22(18-13-24-19-7-3-1-5-16(18)19)21(26)17-6-2-4-8-20(17)25(22)27/h1-13,24,27H/t22-/m0/s1
InChIKeyTXGWUIWHIDVJLF-QFIPXVFZSA-N
XLogP4.64
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

13,14-dihydroxy-12-(hydroxymethyl)-9-(1H-indol-3-yl)-11-oxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,15-dione
CID 75093511
2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one
CID 155935668
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
CID 757506
4-(hydroxymethyl)-1-(1H-indol-3-yl)-7,7-dimethyl-3,6,8-trioxa-11-azapentacyclo[9.7.0.02,9.05,9.012,17]octadeca-12,14,16-triene-10,18-dione
CID 74076239
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 7087091
3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one
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CID 98397090
(4S)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 98206029
2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione
CID 102496981
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclobutane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one?
The IUPAC name of (2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one (CID 135032572) is (2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one is O=C1c2ccccc2N(O)[C@@]1(c1ccc(F)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one?
The InChIKey is TXGWUIWHIDVJLF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H15FN2O2/c23-15-11-9-14(10-12-15)22(18-13-24-19-7-3-1-5-16(18)19)21(26)17-6-2-4-8-20(17)25(22)27/h1-13,24,27H/t22-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one?
(2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one has a molecular weight of 358.37 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one is sourced from PubChem (CID 135032572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).