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

C24H21ClN2O3 — CID 95095431

IUPAC2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)[C@](O)(c3cccc(Cl)c3)c3ccccc32)c(C)c1
InChIInChI=1S/C24H21ClN2O3/c1-15-10-11-20(16(2)12-15)26-22(28)14-27-21-9-4-3-8-19(21)24(30,23(27)29)17-6-5-7-18(25)13-17/h3-13,30H,14H2,1-2H3,(H,26,28)/t24-/m0/s1
InChIKeyZJNDYUZZFZVDGY-DEOSSOPVSA-N
MW420.90 g/mol
LogP4.18
Rot. Bonds4

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

2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 95095431) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID95095431
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)[C@](O)(c3cccc(Cl)c3)c3ccccc32)c(C)c1
InChIInChI=1S/C24H21ClN2O3/c1-15-10-11-20(16(2)12-15)26-22(28)14-27-21-9-4-3-8-19(21)24(30,23(27)29)17-6-5-7-18(25)13-17/h3-13,30H,14H2,1-2H3,(H,26,28)/t24-/m0/s1
InChIKeyZJNDYUZZFZVDGY-DEOSSOPVSA-N
XLogP4.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095499
2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide
CID 95095451
N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095195
N-(4-chloro-2-fluorophenyl)-2-[3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 53144210
2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 95095424
N-(3-chlorophenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095558
2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 95095456
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095250
N-(2,6-dimethylphenyl)-2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 53144194
2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53144104
2-[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 95095302
N-(2-fluorophenyl)-2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 53144139

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide (CID 95095431) is 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)[C@](O)(c3cccc(Cl)c3)c3ccccc32)c(C)c1.
What is the InChIKey of 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is ZJNDYUZZFZVDGY-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-15-10-11-20(16(2)12-15)26-22(28)14-27-21-9-4-3-8-19(21)24(30,23(27)29)17-6-5-7-18(25)13-17/h3-13,30H,14H2,1-2H3,(H,26,28)/t24-/m0/s1.
What are the key properties of 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 420.90 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 95095431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).