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

C24H19Cl2N3O3 — CID 10504460

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1cccnc1Cl)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl2N3O3/c1-14-18(13-22(30)28-20-4-3-11-27-23(20)26)19-12-17(32-2)9-10-21(19)29(14)24(31)15-5-7-16(25)8-6-15/h3-12H,13H2,1-2H3,(H,28,30)
InChIKeyGKSUMUHDURNKKB-UHFFFAOYSA-N
MW468.34 g/mol
LogP5.53
Rot. Bonds5

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

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 10504460) has the molecular formula C24H19Cl2N3O3 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID10504460
Molecular FormulaC24H19Cl2N3O3
Molecular Weight468.34 g/mol
Exact Mass467.08
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1cccnc1Cl)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl2N3O3/c1-14-18(13-22(30)28-20-4-3-11-27-23(20)26)19-12-17(32-2)9-10-21(19)29(14)24(31)15-5-7-16(25)8-6-15/h3-12H,13H2,1-2H3,(H,28,30)
InChIKeyGKSUMUHDURNKKB-UHFFFAOYSA-N
XLogP5.53
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.34
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-3-pyridinyl)acetamide (CID 10504460) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-3-pyridinyl)acetamide is COc1ccc2c(c1)c(CC(=O)Nc1cccnc1Cl)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is GKSUMUHDURNKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O3/c1-14-18(13-22(30)28-20-4-3-11-27-23(20)26)19-12-17(32-2)9-10-21(19)29(14)24(31)15-5-7-16(25)8-6-15/h3-12H,13H2,1-2H3,(H,28,30).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-3-pyridinyl)acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 468.34 g/mol, XLogP of 5.53, 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-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 10504460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).