2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-pyridin-4-ylethyl)acetamide

C26H24ClN3O3 — CID 42618094

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-pyridin-4-ylethyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NC(C)c1ccncc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O3/c1-16(18-10-12-28-13-11-18)29-25(31)15-22-17(2)30(24-9-8-21(33-3)14-23(22)24)26(32)19-4-6-20(27)7-5-19/h4-14,16H,15H2,1-3H3,(H,29,31)
InChIKeyOLIGVCMWZHUUSR-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.12
Rot. Bonds6

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-pyridin-4-ylethyl)acetamide

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 42618094) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID42618094
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-pyridin-4-ylethyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NC(C)c1ccncc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O3/c1-16(18-10-12-28-13-11-18)29-25(31)15-22-17(2)30(24-9-8-21(33-3)14-23(22)24)26(32)19-4-6-20(27)7-5-19/h4-14,16H,15H2,1-3H3,(H,29,31)
InChIKeyOLIGVCMWZHUUSR-UHFFFAOYSA-N
XLogP5.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.12
H-Bond Donors ≤ 51
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-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-pyridin-4-ylethyl)acetamide (CID 42618094) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-pyridin-4-ylethyl)acetamide is COc1ccc2c(c1)c(CC(=O)NC(C)c1ccncc1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is OLIGVCMWZHUUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-16(18-10-12-28-13-11-18)29-25(31)15-22-17(2)30(24-9-8-21(33-3)14-23(22)24)26(32)19-4-6-20(27)7-5-19/h4-14,16H,15H2,1-3H3,(H,29,31).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-pyridin-4-ylethyl)acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 461.95 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 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-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 42618094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).