methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate

C25H22ClNO5 — CID 101445846

IUPACmethyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate
SMILESCOC(=O)[C@@](OCc1ccccc1)(c1ccc(Cl)cc1)[C@]1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C25H22ClNO5/c1-27-21-11-7-6-10-20(21)24(30,22(27)28)25(23(29)31-2,18-12-14-19(26)15-13-18)32-16-17-8-4-3-5-9-17/h3-15,30H,16H2,1-2H3/t24-,25+/m1/s1
InChIKeyXERZJBHRYIZDRT-RPBOFIJWSA-N
MW451.91 g/mol
LogP3.79
Rot. Bonds6

About methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate

methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate (PubChem CID 101445846) has the molecular formula C25H22ClNO5 and a molecular weight of 451.91 g/mol. Its IUPAC name is methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate
PubChem CID101445846
Molecular FormulaC25H22ClNO5
Molecular Weight451.91 g/mol
Exact Mass451.12
IUPAC Namemethyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate
SMILESCOC(=O)[C@@](OCc1ccccc1)(c1ccc(Cl)cc1)[C@]1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C25H22ClNO5/c1-27-21-11-7-6-10-20(21)24(30,22(27)28)25(23(29)31-2,18-12-14-19(26)15-13-18)32-16-17-8-4-3-5-9-17/h3-15,30H,16H2,1-2H3/t24-,25+/m1/s1
InChIKeyXERZJBHRYIZDRT-RPBOFIJWSA-N
XLogP3.79
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate with MolForge

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Related Compounds

methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate
CID 53371867
methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate
CID 101445842
dimethyl 2-(4-chlorophenyl)-2-hydroxy-3-phenyl-3-phenylmethoxybutanedioate
CID 102391880
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one
CID 102346465
3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one
CID 132820779
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 56861384
methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate
CID 56871088
2-(4-chlorophenyl)-2-phenylmethoxypent-3-ynoic acid
CID 57304576
3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one
CID 154712691
5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 102474299

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate?
The IUPAC name of methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate (CID 101445846) is methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate.
What is the SMILES notation for methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate?
The canonical SMILES for methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate is COC(=O)[C@@](OCc1ccccc1)(c1ccc(Cl)cc1)[C@]1(O)C(=O)N(C)c2ccccc21.
What is the InChIKey of methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate?
The InChIKey is XERZJBHRYIZDRT-RPBOFIJWSA-N. The full InChI is InChI=1S/C25H22ClNO5/c1-27-21-11-7-6-10-20(21)24(30,22(27)28)25(23(29)31-2,18-12-14-19(26)15-13-18)32-16-17-8-4-3-5-9-17/h3-15,30H,16H2,1-2H3/t24-,25+/m1/s1.
What are the key properties of methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate?
methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate has a molecular weight of 451.91 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate is sourced from PubChem (CID 101445846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).