1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone

C22H19F2NO3 — CID 59636858

IUPAC1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone
SMILESCCc1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2[nH]1
InChIInChI=1S/C22H19F2NO3/c1-2-16-11-14-9-13(3-5-17(14)25-16)10-20(26)21(7-8-21)15-4-6-18-19(12-15)28-22(23,24)27-18/h3-6,9,11-12,25H,2,7-8,10H2,1H3
InChIKeyBOANJQXEDJIFKZ-UHFFFAOYSA-N
MW383.39 g/mol
LogP4.90
Rot. Bonds5

About 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone

1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone (PubChem CID 59636858) has the molecular formula C22H19F2NO3 and a molecular weight of 383.39 g/mol. Its IUPAC name is 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone
PubChem CID59636858
Molecular FormulaC22H19F2NO3
Molecular Weight383.39 g/mol
Exact Mass383.13
IUPAC Name1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone
SMILESCCc1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2[nH]1
InChIInChI=1S/C22H19F2NO3/c1-2-16-11-14-9-13(3-5-17(14)25-16)10-20(26)21(7-8-21)15-4-6-18-19(12-15)28-22(23,24)27-18/h3-6,9,11-12,25H,2,7-8,10H2,1H3
InChIKeyBOANJQXEDJIFKZ-UHFFFAOYSA-N
XLogP4.90
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-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-(1,3-benzodioxol-5-yl)-9-tert-butyl-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
CID 71699544
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-[4-[(2S)-2,3-dihydroxypropoxy]-2-methylbutan-2-yl]-6-fluoro-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 46199647
N-(2-tert-butyl-4-cyano-1H-indol-5-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 46199866
2-[2-Tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-6-fluoroindol-1-yl]ethyl-trimethylazanium
CID 46199870
1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(6-fluoro-1,1-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl)cyclopropanecarboxamide
CID 59129480
N-[2-tert-butyl-1-[2-(dimethylamino)ethyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 89681959
N-[(2-methyl-1H-indol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 3245398
2-(1,3-benzodioxol-5-yl)-N-[2-(9H-carbazol-1-yl)phenyl]acetamide
CID 145968535
N-[2-(9H-carbazol-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 145987959
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 46199648
(E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
CID 7947675
ethyl 2-(9H-carbazol-3-yl)-4,4-difluoro-2-(7-methoxynaphthalen-1-yl)butanoate
CID 176437979

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone?
The IUPAC name of 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone (CID 59636858) is 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone.
What is the SMILES notation for 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone?
The canonical SMILES for 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone is CCc1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2[nH]1.
What is the InChIKey of 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone?
The InChIKey is BOANJQXEDJIFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO3/c1-2-16-11-14-9-13(3-5-17(14)25-16)10-20(26)21(7-8-21)15-4-6-18-19(12-15)28-22(23,24)27-18/h3-6,9,11-12,25H,2,7-8,10H2,1H3.
What are the key properties of 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone?
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone has a molecular weight of 383.39 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-indol-5-yl)ethanone is sourced from PubChem (CID 59636858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).