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

C43H42Cl2N4O6 — CID 70687036

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[5-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]pentyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCCCCCNC(=O)Cc1c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc13)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C43H42Cl2N4O6/c1-26-34(36-22-32(54-3)16-18-38(36)48(26)42(52)28-8-12-30(44)13-9-28)24-40(50)46-20-6-5-7-21-47-41(51)25-35-27(2)49(39-19-17-33(55-4)23-37(35)39)43(53)29-10-14-31(45)15-11-29/h8-19,22-23H,5-7,20-21,24-25H2,1-4H3,(H,46,50)(H,47,51)
InChIKeyPIKULHHKEMBGAC-UHFFFAOYSA-N
MW781.74 g/mol
LogP8.10
Rot. Bonds14

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

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[5-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]pentyl]acetamide (PubChem CID 70687036) has the molecular formula C43H42Cl2N4O6 and a molecular weight of 781.74 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[5-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]pentyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[5-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]pentyl]acetamide
PubChem CID70687036
Molecular FormulaC43H42Cl2N4O6
Molecular Weight781.74 g/mol
Exact Mass780.25
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[5-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]pentyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCCCCCNC(=O)Cc1c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc13)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C43H42Cl2N4O6/c1-26-34(36-22-32(54-3)16-18-38(36)48(26)42(52)28-8-12-30(44)13-9-28)24-40(50)46-20-6-5-7-21-47-41(51)25-35-27(2)49(39-19-17-33(55-4)23-37(35)39)43(53)29-10-14-31(45)15-11-29/h8-19,22-23H,5-7,20-21,24-25H2,1-4H3,(H,46,50)(H,47,51)
InChIKeyPIKULHHKEMBGAC-UHFFFAOYSA-N
XLogP8.10
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.74
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[5-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]pentyl]acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[5-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]pentyl]acetamide (CID 70687036) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[5-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]pentyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[5-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]pentyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[5-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]pentyl]acetamide is COc1ccc2c(c1)c(CC(=O)NCCCCCNC(=O)Cc1c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc13)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[5-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]pentyl]acetamide?
The InChIKey is PIKULHHKEMBGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42Cl2N4O6/c1-26-34(36-22-32(54-3)16-18-38(36)48(26)42(52)28-8-12-30(44)13-9-28)24-40(50)46-20-6-5-7-21-47-41(51)25-35-27(2)49(39-19-17-33(55-4)23-37(35)39)43(53)29-10-14-31(45)15-11-29/h8-19,22-23H,5-7,20-21,24-25H2,1-4H3,(H,46,50)(H,47,51).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[5-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]pentyl]acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[5-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]pentyl]acetamide has a molecular weight of 781.74 g/mol, XLogP of 8.10, 14 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-[5-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]pentyl]acetamide is sourced from PubChem (CID 70687036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).