2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide

C29H26ClN3O4 — CID 118723543

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCCc1c[nH]c3ccc(O)cc13)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C29H26ClN3O4/c1-17-23(15-28(35)31-12-11-19-16-32-26-9-7-21(34)13-24(19)26)25-14-22(37-2)8-10-27(25)33(17)29(36)18-3-5-20(30)6-4-18/h3-10,13-14,16,32,34H,11-12,15H2,1-2H3,(H,31,35)
InChIKeyUQXDHCCSBGHKLS-UHFFFAOYSA-N
MW516.00 g/mol
LogP5.39
Rot. Bonds7

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 118723543) has the molecular formula C29H26ClN3O4 and a molecular weight of 516.00 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID118723543
Molecular FormulaC29H26ClN3O4
Molecular Weight516.00 g/mol
Exact Mass515.16
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCCc1c[nH]c3ccc(O)cc13)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C29H26ClN3O4/c1-17-23(15-28(35)31-12-11-19-16-32-26-9-7-21(34)13-24(19)26)25-14-22(37-2)8-10-27(25)33(17)29(36)18-3-5-20(30)6-4-18/h3-10,13-14,16,32,34H,11-12,15H2,1-2H3,(H,31,35)
InChIKeyUQXDHCCSBGHKLS-UHFFFAOYSA-N
XLogP5.39
TPSA96.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.00
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide (CID 118723543) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2c(c1)c(CC(=O)NCCc1c[nH]c3ccc(O)cc13)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is UQXDHCCSBGHKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN3O4/c1-17-23(15-28(35)31-12-11-19-16-32-26-9-7-21(34)13-24(19)26)25-14-22(37-2)8-10-27(25)33(17)29(36)18-3-5-20(30)6-4-18/h3-10,13-14,16,32,34H,11-12,15H2,1-2H3,(H,31,35).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 516.00 g/mol, XLogP of 5.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 118723543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).