methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate

C24H19FN2O5 — CID 95095338

IUPACmethyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1C(=O)[C@@](O)(c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C24H19FN2O5/c1-32-22(29)17-9-2-4-11-19(17)26-21(28)14-27-20-12-5-3-10-18(20)24(31,23(27)30)15-7-6-8-16(25)13-15/h2-13,31H,14H2,1H3,(H,26,28)/t24-/m1/s1
InChIKeyNYOCIMQHQKLICG-XMMPIXPASA-N
MW434.42 g/mol
LogP2.83
Rot. Bonds5

About methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate

methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate (PubChem CID 95095338) has the molecular formula C24H19FN2O5 and a molecular weight of 434.42 g/mol. Its IUPAC name is methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate
PubChem CID95095338
Molecular FormulaC24H19FN2O5
Molecular Weight434.42 g/mol
Exact Mass434.13
IUPAC Namemethyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1C(=O)[C@@](O)(c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C24H19FN2O5/c1-32-22(29)17-9-2-4-11-19(17)26-21(28)14-27-20-12-5-3-10-18(20)24(31,23(27)30)15-7-6-8-16(25)13-15/h2-13,31H,14H2,1H3,(H,26,28)/t24-/m1/s1
InChIKeyNYOCIMQHQKLICG-XMMPIXPASA-N
XLogP2.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate
CID 53144125
N-(2,6-dimethylphenyl)-2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 53144194
2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 95095424
N-(4-chloro-2-fluorophenyl)-2-[3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 53144210
N-(2-fluorophenyl)-2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 53144139
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
2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 95095552
2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53144122
2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53144104
N-(2,4-dimethylphenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095499
N-(3,5-dimethoxyphenyl)-2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)acetamide
CID 53144251

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate (CID 95095338) is methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN1C(=O)[C@@](O)(c2cccc(F)c2)c2ccccc21.
What is the InChIKey of methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate?
The InChIKey is NYOCIMQHQKLICG-XMMPIXPASA-N. The full InChI is InChI=1S/C24H19FN2O5/c1-32-22(29)17-9-2-4-11-19(17)26-21(28)14-27-20-12-5-3-10-18(20)24(31,23(27)30)15-7-6-8-16(25)13-15/h2-13,31H,14H2,1H3,(H,26,28)/t24-/m1/s1.
What are the key properties of methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate?
methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate has a molecular weight of 434.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(3R)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 95095338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).