2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide

C17H18F3NO3 — CID 136560222

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1ccc2c(c1)OCCO2)C1(C(F)(F)F)CC1
InChIInChI=1S/C17H18F3NO3/c1-21(16(4-5-16)17(18,19)20)15(22)12-9-11(12)10-2-3-13-14(8-10)24-7-6-23-13/h2-3,8,11-12H,4-7,9H2,1H3
InChIKeyYWRKHLOCQKHBJS-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.11
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide (PubChem CID 136560222) has the molecular formula C17H18F3NO3 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide
PubChem CID136560222
Molecular FormulaC17H18F3NO3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1ccc2c(c1)OCCO2)C1(C(F)(F)F)CC1
InChIInChI=1S/C17H18F3NO3/c1-21(16(4-5-16)17(18,19)20)15(22)12-9-11(12)10-2-3-13-14(8-10)24-7-6-23-13/h2-3,8,11-12H,4-7,9H2,1H3
InChIKeyYWRKHLOCQKHBJS-UHFFFAOYSA-N
XLogP3.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide 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-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 43810303
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 39244283
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide
CID 75434006
N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119656504
cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564617
1-[(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 129467345
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 120805419
N-(2-aminophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 119422715
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-piperazin-1-ylmethanone
CID 119403427
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cycloheptane-1-carboxylic acid
CID 81008996
cis-(1S,2R)-N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 96564771
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol
CID 81416194

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide (CID 136560222) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide is CN(C(=O)C1CC1c1ccc2c(c1)OCCO2)C1(C(F)(F)F)CC1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide?
The InChIKey is YWRKHLOCQKHBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3/c1-21(16(4-5-16)17(18,19)20)15(22)12-9-11(12)10-2-3-13-14(8-10)24-7-6-23-13/h2-3,8,11-12H,4-7,9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 136560222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).