2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide

C23H19ClN2O4 — CID 95095456

IUPAC2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2C(=O)[C@@](O)(c3cccc(Cl)c3)c3ccccc32)c1
InChIInChI=1S/C23H19ClN2O4/c1-30-18-9-5-8-17(13-18)25-21(27)14-26-20-11-3-2-10-19(20)23(29,22(26)28)15-6-4-7-16(24)12-15/h2-13,29H,14H2,1H3,(H,25,27)/t23-/m1/s1
InChIKeyMFEFPQHSZCEKQQ-HSZRJFAPSA-N
MW422.87 g/mol
LogP3.57
Rot. Bonds5

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

2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 95095456) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID95095456
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC Name2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2C(=O)[C@@](O)(c3cccc(Cl)c3)c3ccccc32)c1
InChIInChI=1S/C23H19ClN2O4/c1-30-18-9-5-8-17(13-18)25-21(27)14-26-20-11-3-2-10-19(20)23(29,22(26)28)15-6-4-7-16(24)12-15/h2-13,29H,14H2,1H3,(H,25,27)/t23-/m1/s1
InChIKeyMFEFPQHSZCEKQQ-HSZRJFAPSA-N
XLogP3.57
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 95095552
2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide
CID 95095451
N-(3-chlorophenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095558
N-(3,5-dimethoxyphenyl)-2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)acetamide
CID 53144251
2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53144104
2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 53144266
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
2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 95095424
N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095174
N-(2,4-dimethoxyphenyl)-2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095528
N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095195

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide (CID 95095456) is 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN2C(=O)[C@@](O)(c3cccc(Cl)c3)c3ccccc32)c1.
What is the InChIKey of 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is MFEFPQHSZCEKQQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c1-30-18-9-5-8-17(13-18)25-21(27)14-26-20-11-3-2-10-19(20)23(29,22(26)28)15-6-4-7-16(24)12-15/h2-13,29H,14H2,1H3,(H,25,27)/t23-/m1/s1.
What are the key properties of 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 422.87 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 95095456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).