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

C24H20ClN3O3 — CID 1075688

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-pyridin-2-ylacetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O3/c1-15-19(14-23(29)27-22-5-3-4-12-26-22)20-13-18(31-2)10-11-21(20)28(15)24(30)16-6-8-17(25)9-7-16/h3-13H,14H2,1-2H3,(H,26,27,29)
InChIKeySEHSRKGPFXSUDP-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.88
Rot. Bonds5

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

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-pyridin-2-ylacetamide (PubChem CID 1075688) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-pyridin-2-ylacetamide
PubChem CID1075688
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-pyridin-2-ylacetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O3/c1-15-19(14-23(29)27-22-5-3-4-12-26-22)20-13-18(31-2)10-11-21(20)28(15)24(30)16-6-8-17(25)9-7-16/h3-13H,14H2,1-2H3,(H,26,27,29)
InChIKeySEHSRKGPFXSUDP-UHFFFAOYSA-N
XLogP4.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.88
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-pyridin-2-ylacetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-pyridin-2-ylacetamide (CID 1075688) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-pyridin-2-ylacetamide is COc1ccc2c(c1)c(CC(=O)Nc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-pyridin-2-ylacetamide?
The InChIKey is SEHSRKGPFXSUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-15-19(14-23(29)27-22-5-3-4-12-26-22)20-13-18(31-2)10-11-21(20)28(15)24(30)16-6-8-17(25)9-7-16/h3-13H,14H2,1-2H3,(H,26,27,29).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-pyridin-2-ylacetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-pyridin-2-ylacetamide has a molecular weight of 433.90 g/mol, XLogP of 4.88, 5 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-pyridin-2-ylacetamide is sourced from PubChem (CID 1075688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).