2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide

C20H18ClN3O4 — CID 59170411

IUPAC2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide
SMILESCc1c(C(=O)C(N)=O)c2c(OC(Cl)C(N)=O)cccc2n1Cc1ccccc1
InChIInChI=1S/C20H18ClN3O4/c1-11-15(17(25)19(22)26)16-13(24(11)10-12-6-3-2-4-7-12)8-5-9-14(16)28-18(21)20(23)27/h2-9,18H,10H2,1H3,(H2,22,26)(H2,23,27)
InChIKeyBJJOEMRBVVPNRK-UHFFFAOYSA-N
MW399.83 g/mol
LogP2.10
Rot. Bonds7

About 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide

2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide (PubChem CID 59170411) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide.

Molecular Properties

Compound Name2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide
PubChem CID59170411
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC Name2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide
SMILESCc1c(C(=O)C(N)=O)c2c(OC(Cl)C(N)=O)cccc2n1Cc1ccccc1
InChIInChI=1S/C20H18ClN3O4/c1-11-15(17(25)19(22)26)16-13(24(11)10-12-6-3-2-4-7-12)8-5-9-14(16)28-18(21)20(23)27/h2-9,18H,10H2,1H3,(H2,22,26)(H2,23,27)
InChIKeyBJJOEMRBVVPNRK-UHFFFAOYSA-N
XLogP2.10
TPSA117.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide 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-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide?
The IUPAC name of 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide (CID 59170411) is 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide.
What is the SMILES notation for 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide?
The canonical SMILES for 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide is Cc1c(C(=O)C(N)=O)c2c(OC(Cl)C(N)=O)cccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide?
The InChIKey is BJJOEMRBVVPNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-11-15(17(25)19(22)26)16-13(24(11)10-12-6-3-2-4-7-12)8-5-9-14(16)28-18(21)20(23)27/h2-9,18H,10H2,1H3,(H2,22,26)(H2,23,27).
What are the key properties of 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide?
2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide has a molecular weight of 399.83 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-chloroacetamide is sourced from PubChem (CID 59170411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).