1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione

C21H19ClN2O3 — CID 2233828

IUPAC1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)c1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C21H19ClN2O3/c22-18-7-3-1-5-15(18)13-24-14-17(16-6-2-4-8-19(16)24)20(25)21(26)23-9-11-27-12-10-23/h1-8,14H,9-13H2
InChIKeyBGPHIJYNHBSEJF-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.38
Rot. Bonds4

About 1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione

1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 2233828) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID2233828
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)c1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C21H19ClN2O3/c22-18-7-3-1-5-15(18)13-24-14-17(16-6-2-4-8-19(16)24)20(25)21(26)23-9-11-27-12-10-23/h1-8,14H,9-13H2
InChIKeyBGPHIJYNHBSEJF-UHFFFAOYSA-N
XLogP3.38
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione with MolForge

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

Launch Full Analysis

Related Compounds

Jwh-200
CID 10045570
Talmapimod
CID 9871074
Indibulin
CID 2929
Jwh 203
CID 44397500
2-(4-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397532
Oncrasin 1
CID 872445
2-(3-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397713
1-(2-chloro-6-fluorobenzyl)-1H-indole-3-carbaldehyde
CID 775547
Piperazine, 1-(1H-indol-3-yloxoacetyl)-4-phenyl-
CID 3054779
Entasobulin
CID 10203597
3-(2-chlorophenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327715
(E)-4-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)-1-phenylindolin-2-one
CID 54586674

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione (CID 2233828) is 1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione is O=C(C(=O)N1CCOCC1)c1cn(Cc2ccccc2Cl)c2ccccc12.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is BGPHIJYNHBSEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c22-18-7-3-1-5-15(18)13-24-14-17(16-6-2-4-8-19(16)24)20(25)21(26)23-9-11-27-12-10-23/h1-8,14H,9-13H2.
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 382.85 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 2233828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).