2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide

C23H19ClN2O3 — CID 95095451

IUPAC2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)[C@](O)(c3cccc(Cl)c3)c3ccccc32)c1
InChIInChI=1S/C23H19ClN2O3/c1-15-6-4-9-18(12-15)25-21(27)14-26-20-11-3-2-10-19(20)23(29,22(26)28)16-7-5-8-17(24)13-16/h2-13,29H,14H2,1H3,(H,25,27)/t23-/m0/s1
InChIKeyWMJDHGIMUIWSLS-QHCPKHFHSA-N
MW406.87 g/mol
LogP3.87
Rot. Bonds4

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

2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 95095451) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID95095451
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)[C@](O)(c3cccc(Cl)c3)c3ccccc32)c1
InChIInChI=1S/C23H19ClN2O3/c1-15-6-4-9-18(12-15)25-21(27)14-26-20-11-3-2-10-19(20)23(29,22(26)28)16-7-5-8-17(24)13-16/h2-13,29H,14H2,1H3,(H,25,27)/t23-/m0/s1
InChIKeyWMJDHGIMUIWSLS-QHCPKHFHSA-N
XLogP3.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 95095431
N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095195
N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095174
2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53144104
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
2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 95095552
2-[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 95095302
N-(3-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095513
N-(2,4-dimethylphenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095499

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide (CID 95095451) is 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2C(=O)[C@](O)(c3cccc(Cl)c3)c3ccccc32)c1.
What is the InChIKey of 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is WMJDHGIMUIWSLS-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-15-6-4-9-18(12-15)25-21(27)14-26-20-11-3-2-10-19(20)23(29,22(26)28)16-7-5-8-17(24)13-16/h2-13,29H,14H2,1H3,(H,25,27)/t23-/m0/s1.
What are the key properties of 2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide?
2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 406.87 g/mol, XLogP of 3.87, 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 95095451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).