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

C23H18FNO3 — CID 3708418

IUPAC1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccccc1
InChIInChI=1S/C23H18FNO3/c24-18-10-6-7-16(13-18)15-25-20-12-5-4-11-19(20)23(28,22(25)27)14-21(26)17-8-2-1-3-9-17/h1-13,28H,14-15H2
InChIKeyIPEBFXWUCPWVQN-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.83
Rot. Bonds5

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

1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one (PubChem CID 3708418) has the molecular formula C23H18FNO3 and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
PubChem CID3708418
Molecular FormulaC23H18FNO3
Molecular Weight375.40 g/mol
Exact Mass375.13
IUPAC Name1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccccc1
InChIInChI=1S/C23H18FNO3/c24-18-10-6-7-16(13-18)15-25-20-12-5-4-11-19(20)23(28,22(25)27)14-21(26)17-8-2-1-3-9-17/h1-13,28H,14-15H2
InChIKeyIPEBFXWUCPWVQN-UHFFFAOYSA-N
XLogP3.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 3442140
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one
CID 3598775
(3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 7282038
(3R)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 40878367
(3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 1425877
1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 66523103
(3R)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357344
(3S)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357342
(3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 40878364
(3R)-1-[(3-chlorophenyl)methyl]-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 95244675
(3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]indol-2-one
CID 40878371

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one (CID 3708418) is 1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one is O=C(CC1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccccc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one?
The InChIKey is IPEBFXWUCPWVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3/c24-18-10-6-7-16(13-18)15-25-20-12-5-4-11-19(20)23(28,22(25)27)14-21(26)17-8-2-1-3-9-17/h1-13,28H,14-15H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one?
1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one has a molecular weight of 375.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one is sourced from PubChem (CID 3708418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).