(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one

C21H16FNO2 — CID 95095514

IUPAC(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
SMILESO=C1N(Cc2cccc(F)c2)c2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C21H16FNO2/c22-17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)21(25,20(23)24)16-8-2-1-3-9-16/h1-13,25H,14H2/t21-/m0/s1
InChIKeyBZBDJFNDDNZHRT-NRFANRHFSA-N
MW333.36 g/mol
LogP3.61
Rot. Bonds3

About (3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one

(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one (PubChem CID 95095514) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is (3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one.

Molecular Properties

Compound Name(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
PubChem CID95095514
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC Name(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
SMILESO=C1N(Cc2cccc(F)c2)c2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C21H16FNO2/c22-17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)21(25,20(23)24)16-8-2-1-3-9-16/h1-13,25H,14H2/t21-/m0/s1
InChIKeyBZBDJFNDDNZHRT-NRFANRHFSA-N
XLogP3.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile
CID 95095371
1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 3708418
(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one
CID 95095311
(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one
CID 95095280
1-[(3-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 3442140
N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 95095383
3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one
CID 155092280
(3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 7282038
(3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one
CID 95095417
3-[[2-(3-fluorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoic acid
CID 67234161
(3R)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 40878367
N-(2,6-dimethylphenyl)-2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 53144194

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one?
The IUPAC name of (3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one (CID 95095514) is (3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one.
What is the SMILES notation for (3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one?
The canonical SMILES for (3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one is O=C1N(Cc2cccc(F)c2)c2ccccc2[C@@]1(O)c1ccccc1.
What is the InChIKey of (3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one?
The InChIKey is BZBDJFNDDNZHRT-NRFANRHFSA-N. The full InChI is InChI=1S/C21H16FNO2/c22-17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)21(25,20(23)24)16-8-2-1-3-9-16/h1-13,25H,14H2/t21-/m0/s1.
What are the key properties of (3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one?
(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one has a molecular weight of 333.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one is sourced from PubChem (CID 95095514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).