1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone

C19H17Cl2NO — CID 21380859

IUPAC1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone
SMILESCCc1cccc2c(C(C)=O)cn(Cc3ccc(Cl)cc3Cl)c12
InChIInChI=1S/C19H17Cl2NO/c1-3-13-5-4-6-16-17(12(2)23)11-22(19(13)16)10-14-7-8-15(20)9-18(14)21/h4-9,11H,3,10H2,1-2H3
InChIKeyOBDTWOQNFIZUBA-UHFFFAOYSA-N
MW346.26 g/mol
LogP5.76
Rot. Bonds4

About 1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone

1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone (PubChem CID 21380859) has the molecular formula C19H17Cl2NO and a molecular weight of 346.26 g/mol. Its IUPAC name is 1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone
PubChem CID21380859
Molecular FormulaC19H17Cl2NO
Molecular Weight346.26 g/mol
Exact Mass345.07
IUPAC Name1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone
SMILESCCc1cccc2c(C(C)=O)cn(Cc3ccc(Cl)cc3Cl)c12
InChIInChI=1S/C19H17Cl2NO/c1-3-13-5-4-6-16-17(12(2)23)11-22(19(13)16)10-14-7-8-15(20)9-18(14)21/h4-9,11H,3,10H2,1-2H3
InChIKeyOBDTWOQNFIZUBA-UHFFFAOYSA-N
XLogP5.76
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(2,4-dichlorophenyl)methyl]-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

2-(3-acetyl-7-ethylindol-1-yl)acetic acid
CID 6489109
1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone
CID 117098756
1-[1-[3-(4-chloro-3-methylphenoxy)propyl]-7-ethylindol-3-yl]ethanone
CID 21380867
(5Z)-5-[[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]methylidene]-3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 44714064
1-(1-butyl-7-chloroindol-3-yl)ethanone
CID 117098510
(5Z)-5-[[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126140241
[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 21373665
2-[(5Z)-5-[[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide
CID 126142744
2-(3-acetyl-7-ethylindol-1-yl)-N-cyclopentylacetamide
CID 2972257
N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599305
1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone
CID 58968460
1-[7-ethyl-1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]ethanone
CID 97437401

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone?
The IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone (CID 21380859) is 1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone is CCc1cccc2c(C(C)=O)cn(Cc3ccc(Cl)cc3Cl)c12.
What is the InChIKey of 1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone?
The InChIKey is OBDTWOQNFIZUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO/c1-3-13-5-4-6-16-17(12(2)23)11-22(19(13)16)10-14-7-8-15(20)9-18(14)21/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone?
1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone has a molecular weight of 346.26 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone is sourced from PubChem (CID 21380859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).