2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide

C22H15ClF2N2O3 — CID 95095424

IUPAC2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1C(=O)[C@@](O)(c2cccc(Cl)c2)c2ccccc21)Nc1ccc(F)cc1F
InChIInChI=1S/C22H15ClF2N2O3/c23-14-5-3-4-13(10-14)22(30)16-6-1-2-7-19(16)27(21(22)29)12-20(28)26-18-9-8-15(24)11-17(18)25/h1-11,30H,12H2,(H,26,28)/t22-/m1/s1
InChIKeyYYXVFYIBZWGUBU-JOCHJYFZSA-N
MW428.82 g/mol
LogP3.84
Rot. Bonds4

About 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide

2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 95095424) has the molecular formula C22H15ClF2N2O3 and a molecular weight of 428.82 g/mol. Its IUPAC name is 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID95095424
Molecular FormulaC22H15ClF2N2O3
Molecular Weight428.82 g/mol
Exact Mass428.07
IUPAC Name2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1C(=O)[C@@](O)(c2cccc(Cl)c2)c2ccccc21)Nc1ccc(F)cc1F
InChIInChI=1S/C22H15ClF2N2O3/c23-14-5-3-4-13(10-14)22(30)16-6-1-2-7-19(16)27(21(22)29)12-20(28)26-18-9-8-15(24)11-17(18)25/h1-11,30H,12H2,(H,26,28)/t22-/m1/s1
InChIKeyYYXVFYIBZWGUBU-JOCHJYFZSA-N
XLogP3.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.82
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 53144210
2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 95095431
N-(3-chlorophenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095558
2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide
CID 95095451
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(2,4-difluorophenyl)acetamide
CID 53057392
2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 95095456
N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095195
methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate
CID 95095338
N-(2,6-dimethylphenyl)-2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 53144194
N-(2-fluorophenyl)-2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 53144139
N-(2,4-dimethylphenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095499
N-(4-chloro-2-fluorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580817

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide (CID 95095424) is 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide is O=C(CN1C(=O)[C@@](O)(c2cccc(Cl)c2)c2ccccc21)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is YYXVFYIBZWGUBU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H15ClF2N2O3/c23-14-5-3-4-13(10-14)22(30)16-6-1-2-7-19(16)27(21(22)29)12-20(28)26-18-9-8-15(24)11-17(18)25/h1-11,30H,12H2,(H,26,28)/t22-/m1/s1.
What are the key properties of 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide?
2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 428.82 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 95095424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).