2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide

C20H18ClN3O3 — CID 54771138

IUPAC2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H18ClN3O3/c21-13-1-6-16-17(12-22-18(16)11-13)19(25)20(26)23-14-2-4-15(5-3-14)24-7-9-27-10-8-24/h1-6,11-12,22H,7-10H2,(H,23,26)
InChIKeyBCSGRGSIUPINQK-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.48
Rot. Bonds4

About 2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide

2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide (PubChem CID 54771138) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
PubChem CID54771138
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H18ClN3O3/c21-13-1-6-16-17(12-22-18(16)11-13)19(25)20(26)23-14-2-4-15(5-3-14)24-7-9-27-10-8-24/h1-6,11-12,22H,7-10H2,(H,23,26)
InChIKeyBCSGRGSIUPINQK-UHFFFAOYSA-N
XLogP3.48
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide (CID 54771138) is 2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide is O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The InChIKey is BCSGRGSIUPINQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-13-1-6-16-17(12-22-18(16)11-13)19(25)20(26)23-14-2-4-15(5-3-14)24-7-9-27-10-8-24/h1-6,11-12,22H,7-10H2,(H,23,26).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide has a molecular weight of 383.84 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide is sourced from PubChem (CID 54771138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).