4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

C17H13ClFNO3 — CID 3152131

IUPAC4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13ClFNO3/c1-9-2-7-12(18)14-15(9)20-16(22)17(14,23)8-13(21)10-3-5-11(19)6-4-10/h2-7,23H,8H2,1H3,(H,20,22)
InChIKeyUTERLRMUQHDNOI-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.20
Rot. Bonds3

About 4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one (PubChem CID 3152131) has the molecular formula C17H13ClFNO3 and a molecular weight of 333.75 g/mol. Its IUPAC name is 4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
PubChem CID3152131
Molecular FormulaC17H13ClFNO3
Molecular Weight333.75 g/mol
Exact Mass333.06
IUPAC Name4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13ClFNO3/c1-9-2-7-12(18)14-15(9)20-16(22)17(14,23)8-13(21)10-3-5-11(19)6-4-10/h2-7,23H,8H2,1H3,(H,20,22)
InChIKeyUTERLRMUQHDNOI-UHFFFAOYSA-N
XLogP3.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
CID 12777142
(3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 7275803
(3S)-4-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 7330831
(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methylsulfonylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 121277286
4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 2976345
4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane
CID 159814062
(3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 969721
4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one
CID 121268277
(3R)-4,7-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one;4-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]benzamide;4-[2-[(3S)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]benzamide
CID 159495651
(3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 986259
(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 796109
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The IUPAC name of 4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one (CID 3152131) is 4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one.
What is the SMILES notation for 4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The canonical SMILES for 4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The InChIKey is UTERLRMUQHDNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3/c1-9-2-7-12(18)14-15(9)20-16(22)17(14,23)8-13(21)10-3-5-11(19)6-4-10/h2-7,23H,8H2,1H3,(H,20,22).
What are the key properties of 4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one has a molecular weight of 333.75 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is sourced from PubChem (CID 3152131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).