2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone

C21H20Cl2N2O2 — CID 25031483

IUPAC2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C21H20Cl2N2O2/c22-18-6-5-15(11-19(18)23)13-25-14-16(17-3-1-2-4-20(17)25)12-21(26)24-7-9-27-10-8-24/h1-6,11,14H,7-10,12-13H2
InChIKeyPCRPRLYOULVIGI-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.40
Rot. Bonds4

About 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone

2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone (PubChem CID 25031483) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
PubChem CID25031483
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC Name2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C21H20Cl2N2O2/c22-18-6-5-15(11-19(18)23)13-25-14-16(17-3-1-2-4-20(17)25)12-21(26)24-7-9-27-10-8-24/h1-6,11,14H,7-10,12-13H2
InChIKeyPCRPRLYOULVIGI-UHFFFAOYSA-N
XLogP4.40
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone 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-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone (CID 25031483) is 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone is O=C(Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)N1CCOCC1.
What is the InChIKey of 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone?
The InChIKey is PCRPRLYOULVIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c22-18-6-5-15(11-19(18)23)13-25-14-16(17-3-1-2-4-20(17)25)12-21(26)24-7-9-27-10-8-24/h1-6,11,14H,7-10,12-13H2.
What are the key properties of 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone?
2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone has a molecular weight of 403.31 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 25031483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).