methyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate

C19H16ClNO5 — CID 2939448

IUPACmethyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C19H16ClNO5/c1-26-17(23)11-21-15-5-3-2-4-14(15)19(25,18(21)24)10-16(22)12-6-8-13(20)9-7-12/h2-9,25H,10-11H2,1H3
InChIKeyMPYJARCIIGQKFJ-UHFFFAOYSA-N
MW373.79 g/mol
LogP2.32
Rot. Bonds5

About methyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate

methyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate (PubChem CID 2939448) has the molecular formula C19H16ClNO5 and a molecular weight of 373.79 g/mol. Its IUPAC name is methyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate
PubChem CID2939448
Molecular FormulaC19H16ClNO5
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC Namemethyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C19H16ClNO5/c1-26-17(23)11-21-15-5-3-2-4-14(15)19(25,18(21)24)10-16(22)12-6-8-13(20)9-7-12/h2-9,25H,10-11H2,1H3
InChIKeyMPYJARCIIGQKFJ-UHFFFAOYSA-N
XLogP2.32
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Hydroxy-3-phenacyl-1-prop-2-enylindol-2-one
CID 651977
ethyl {3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2,3-dihydro-1H-indol-1-yl}acetate
CID 2898051
methyl [3-hydroxy-2-oxo-3-(2-oxo-2-phenylethyl)-2,3-dihydro-1H-indol-1-yl]acetate
CID 2924675
1-allyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2925037
methyl {3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
CID 2937814
1-(4-chlorobenzyl)-3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2949587
3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-propyl-1,3-dihydro-2H-indol-2-one
CID 4414000
methyl {5-bromo-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
CID 5309295
methyl {3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
CID 5309462
2-[3-hydroxy-2-oxo-3-(2-oxo-6-phenyl-3,5-hexadien-1-yl)-2,3-dihydro-1H-indol-1-yl]acetamide
CID 5735867
3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
CID 15991224
5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 15991254

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate (CID 2939448) is methyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate is COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of methyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate?
The InChIKey is MPYJARCIIGQKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO5/c1-26-17(23)11-21-15-5-3-2-4-14(15)19(25,18(21)24)10-16(22)12-6-8-13(20)9-7-12/h2-9,25H,10-11H2,1H3.
What are the key properties of methyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate?
methyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate has a molecular weight of 373.79 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 2939448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).