(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one

C17H14FNO3 — CID 1425817

IUPAC(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(F)cc32)cc1
InChIInChI=1S/C17H14FNO3/c1-10-2-4-11(5-3-10)15(20)9-17(22)13-8-12(18)6-7-14(13)19-16(17)21/h2-8,22H,9H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyOFVWDFVAATXMPL-QGZVFWFLSA-N
MW299.30 g/mol
LogP2.55
Rot. Bonds3

About (3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one

(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 1425817) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is (3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
PubChem CID1425817
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(F)cc32)cc1
InChIInChI=1S/C17H14FNO3/c1-10-2-4-11(5-3-10)15(20)9-17(22)13-8-12(18)6-7-14(13)19-16(17)21/h2-8,22H,9H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyOFVWDFVAATXMPL-QGZVFWFLSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 2944765
3,5-dihydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 72734849
(3R)-5-fluoro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
CID 92502316
(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425949
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 1320855
(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
CID 682358
3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 3149315
N-[4-[2-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]benzenesulfonamide
CID 171390330
(3R)-5-fluoro-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1H-indol-2-one
CID 7693260
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 2965858
(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 92726677
3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3699611

Frequently Asked Questions

What is the IUPAC name of (3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of (3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one (CID 1425817) is (3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for (3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for (3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one is Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(F)cc32)cc1.
What is the InChIKey of (3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is OFVWDFVAATXMPL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-10-2-4-11(5-3-10)15(20)9-17(22)13-8-12(18)6-7-14(13)19-16(17)21/h2-8,22H,9H2,1H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one?
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 299.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 1425817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).