[2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate

C38H30Cl2N2O8 — CID 67638409

IUPAC[2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate
SMILESCOc1cccc2c1c(CC(=O)OCC(=O)Oc1c(C)n(C(=O)c3ccc(Cl)cc3)c3cccc(OC)c13)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C38H30Cl2N2O8/c1-21-27(34-28(7-5-9-30(34)47-3)41(21)37(45)23-11-15-25(39)16-12-23)19-32(43)49-20-33(44)50-36-22(2)42(29-8-6-10-31(48-4)35(29)36)38(46)24-13-17-26(40)18-14-24/h5-18H,19-20H2,1-4H3
InChIKeyUNEURHQJDMLOBR-UHFFFAOYSA-N
MW713.57 g/mol
LogP7.61
Rot. Bonds9

About [2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate

[2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate (PubChem CID 67638409) has the molecular formula C38H30Cl2N2O8 and a molecular weight of 713.57 g/mol. Its IUPAC name is [2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate.

Molecular Properties

Compound Name[2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate
PubChem CID67638409
Molecular FormulaC38H30Cl2N2O8
Molecular Weight713.57 g/mol
Exact Mass712.14
IUPAC Name[2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate
SMILESCOc1cccc2c1c(CC(=O)OCC(=O)Oc1c(C)n(C(=O)c3ccc(Cl)cc3)c3cccc(OC)c13)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C38H30Cl2N2O8/c1-21-27(34-28(7-5-9-30(34)47-3)41(21)37(45)23-11-15-25(39)16-12-23)19-32(43)49-20-33(44)50-36-22(2)42(29-8-6-10-31(48-4)35(29)36)38(46)24-13-17-26(40)18-14-24/h5-18H,19-20H2,1-4H3
InChIKeyUNEURHQJDMLOBR-UHFFFAOYSA-N
XLogP7.61
TPSA115.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.57
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid
CID 54561553
zinc;bis(2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetate);dihydrate
CID 11848042
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
ethyl 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoate
CID 13217476
3-(4-methylphenyl)sulfonyloxypropyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2,4-dimethylindol-3-yl]acetate
CID 22081112
methyl 2-[4-amino-1-(4-chlorobenzoyl)-5-(1-hydroxyethyl)-2-methylindol-3-yl]acetate
CID 89057194
2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69487991
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2569721
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 44713687
propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 90753955
benzyl 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoate
CID 13217475
tert-butyl 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoate
CID 13217477

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate?
The IUPAC name of [2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate (CID 67638409) is [2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate.
What is the SMILES notation for [2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate?
The canonical SMILES for [2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate is COc1cccc2c1c(CC(=O)OCC(=O)Oc1c(C)n(C(=O)c3ccc(Cl)cc3)c3cccc(OC)c13)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate?
The InChIKey is UNEURHQJDMLOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30Cl2N2O8/c1-21-27(34-28(7-5-9-30(34)47-3)41(21)37(45)23-11-15-25(39)16-12-23)19-32(43)49-20-33(44)50-36-22(2)42(29-8-6-10-31(48-4)35(29)36)38(46)24-13-17-26(40)18-14-24/h5-18H,19-20H2,1-4H3.
What are the key properties of [2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate?
[2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate has a molecular weight of 713.57 g/mol, XLogP of 7.61, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate is sourced from PubChem (CID 67638409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).