3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide

C25H21ClN2O3 — CID 146154131

IUPAC3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)c1
InChIInChI=1S/C25H21ClN2O3/c1-27-25(30)18-8-6-7-17(15-18)24(29)20-16-28(22-11-4-2-9-19(20)22)13-14-31-23-12-5-3-10-21(23)26/h2-12,15-16H,13-14H2,1H3,(H,27,30)
InChIKeyJSYZBILRRILFGN-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.96
Rot. Bonds7

About 3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide

3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide (PubChem CID 146154131) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is 3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide
PubChem CID146154131
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC Name3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)c1
InChIInChI=1S/C25H21ClN2O3/c1-27-25(30)18-8-6-7-17(15-18)24(29)20-16-28(22-11-4-2-9-19(20)22)13-14-31-23-12-5-3-10-21(23)26/h2-12,15-16H,13-14H2,1H3,(H,27,30)
InChIKeyJSYZBILRRILFGN-UHFFFAOYSA-N
XLogP4.96
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide 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

[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
CID 1292806
1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide
CID 166181594
[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone
CID 4524878
2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one
CID 3965058
5-[[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 988099
2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380764
1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one
CID 955241
(3-iodophenyl)-[1-(3-methylbutyl)indol-3-yl]methanone
CID 170857321
3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine
CID 170868081
1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide
CID 146154164
2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide
CID 3161660
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 117098447

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide?
The IUPAC name of 3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide (CID 146154131) is 3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide.
What is the SMILES notation for 3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide?
The canonical SMILES for 3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide is CNC(=O)c1cccc(C(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)c1.
What is the InChIKey of 3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide?
The InChIKey is JSYZBILRRILFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-27-25(30)18-8-6-7-17(15-18)24(29)20-16-28(22-11-4-2-9-19(20)22)13-14-31-23-12-5-3-10-21(23)26/h2-12,15-16H,13-14H2,1H3,(H,27,30).
What are the key properties of 3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide?
3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide has a molecular weight of 432.91 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide is sourced from PubChem (CID 146154131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).