1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone

C22H24ClNO2 — CID 21380867

IUPAC1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone
SMILESCCc1cccc2c(C(C)=O)cn(CCCOc3ccc(Cl)c(C)c3)c12
InChIInChI=1S/C22H24ClNO2/c1-4-17-7-5-8-19-20(16(3)25)14-24(22(17)19)11-6-12-26-18-9-10-21(23)15(2)13-18/h5,7-10,13-14H,4,6,11-12H2,1-3H3
InChIKeyZLHHJGRSIJAZQD-UHFFFAOYSA-N
MW369.89 g/mol
LogP5.84
Rot. Bonds7

About 1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone

1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone (PubChem CID 21380867) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is 1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone
PubChem CID21380867
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Name1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone
SMILESCCc1cccc2c(C(C)=O)cn(CCCOc3ccc(Cl)c(C)c3)c12
InChIInChI=1S/C22H24ClNO2/c1-4-17-7-5-8-19-20(16(3)25)14-24(22(17)19)11-6-12-26-18-9-10-21(23)15(2)13-18/h5,7-10,13-14H,4,6,11-12H2,1-3H3
InChIKeyZLHHJGRSIJAZQD-UHFFFAOYSA-N
XLogP5.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.89
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone 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-[7-ethyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone
CID 58968242
1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone
CID 58968460
1-(1-butyl-7-chloroindol-3-yl)ethanone
CID 117098510
1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone
CID 21380859
N-[(3,4-dichlorophenyl)methyl]-7-ethyl-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide
CID 58967876
2-(3-acetyl-7-ethylindol-1-yl)acetic acid
CID 6489109
4-(3-acetyl-7-methylindol-1-yl)butanoic acid
CID 117098575
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298
ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate
CID 117098558
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 117098447
1-[2-(4-chloro-3-methylphenoxy)ethyl]-N'-hydroxyindole-3-carboximidamide
CID 11957184

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone (CID 21380867) is 1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone is CCc1cccc2c(C(C)=O)cn(CCCOc3ccc(Cl)c(C)c3)c12.
What is the InChIKey of 1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone?
The InChIKey is ZLHHJGRSIJAZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO2/c1-4-17-7-5-8-19-20(16(3)25)14-24(22(17)19)11-6-12-26-18-9-10-21(23)15(2)13-18/h5,7-10,13-14H,4,6,11-12H2,1-3H3.
What are the key properties of 1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone?
1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone has a molecular weight of 369.89 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone is sourced from PubChem (CID 21380867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).