2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide

C46H40Cl2N4O6 — CID 70695437

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCc1ccc(CNC(=O)Cc3c(C)n(C(=O)c4ccc(Cl)cc4)c4ccc(OC)cc34)cc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C46H40Cl2N4O6/c1-27-37(39-21-35(57-3)17-19-41(39)51(27)45(55)31-9-13-33(47)14-10-31)23-43(53)49-25-29-5-7-30(8-6-29)26-50-44(54)24-38-28(2)52(42-20-18-36(58-4)22-40(38)42)46(56)32-11-15-34(48)16-12-32/h5-22H,23-26H2,1-4H3,(H,49,53)(H,50,54)
InChIKeyHVTYSMNHJUXHNP-UHFFFAOYSA-N
MW815.75 g/mol
LogP8.63
Rot. Bonds12

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide (PubChem CID 70695437) has the molecular formula C46H40Cl2N4O6 and a molecular weight of 815.75 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide
PubChem CID70695437
Molecular FormulaC46H40Cl2N4O6
Molecular Weight815.75 g/mol
Exact Mass814.23
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCc1ccc(CNC(=O)Cc3c(C)n(C(=O)c4ccc(Cl)cc4)c4ccc(OC)cc34)cc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C46H40Cl2N4O6/c1-27-37(39-21-35(57-3)17-19-41(39)51(27)45(55)31-9-13-33(47)14-10-31)23-43(53)49-25-29-5-7-30(8-6-29)26-50-44(54)24-38-28(2)52(42-20-18-36(58-4)22-40(38)42)46(56)32-11-15-34(48)16-12-32/h5-22H,23-26H2,1-4H3,(H,49,53)(H,50,54)
InChIKeyHVTYSMNHJUXHNP-UHFFFAOYSA-N
XLogP8.63
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.75
LogP ≤ 58.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide (CID 70695437) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide is COc1ccc2c(c1)c(CC(=O)NCc1ccc(CNC(=O)Cc3c(C)n(C(=O)c4ccc(Cl)cc4)c4ccc(OC)cc34)cc1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide?
The InChIKey is HVTYSMNHJUXHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40Cl2N4O6/c1-27-37(39-21-35(57-3)17-19-41(39)51(27)45(55)31-9-13-33(47)14-10-31)23-43(53)49-25-29-5-7-30(8-6-29)26-50-44(54)24-38-28(2)52(42-20-18-36(58-4)22-40(38)42)46(56)32-11-15-34(48)16-12-32/h5-22H,23-26H2,1-4H3,(H,49,53)(H,50,54).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide has a molecular weight of 815.75 g/mol, XLogP of 8.63, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[4-[[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 70695437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).