N-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine

C24H22F2N2O2 — CID 118328223

IUPACN-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine
SMILESC=C(Nc1ccc2[nH]c(C3(C)CC3)cc2c1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C24H22F2N2O2/c1-14(23(9-10-23)16-3-6-19-20(13-16)30-24(25,26)29-19)27-17-4-5-18-15(11-17)12-21(28-18)22(2)7-8-22/h3-6,11-13,27-28H,1,7-10H2,2H3
InChIKeyXEQUUBJCCKDKFQ-UHFFFAOYSA-N
MW408.45 g/mol
LogP6.20
Rot. Bonds5

About N-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine

N-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine (PubChem CID 118328223) has the molecular formula C24H22F2N2O2 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine.

Molecular Properties

Compound NameN-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine
PubChem CID118328223
Molecular FormulaC24H22F2N2O2
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC NameN-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine
SMILESC=C(Nc1ccc2[nH]c(C3(C)CC3)cc2c1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C24H22F2N2O2/c1-14(23(9-10-23)16-3-6-19-20(13-16)30-24(25,26)29-19)27-17-4-5-18-15(11-17)12-21(28-18)22(2)7-8-22/h3-6,11-13,27-28H,1,7-10H2,2H3
InChIKeyXEQUUBJCCKDKFQ-UHFFFAOYSA-N
XLogP6.20
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-4,5-dimethylpyridin-2-amine
CID 89228843
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(1H-indol-5-yl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206227
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160963940
N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159450367
1-[1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)cyclopropyl]ethenamine;propane
CID 164569804
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone
CID 157165152
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-methyl-1H-indol-5-yl)-1,2-dihydroisoquinolin-3-yl]cyclopropane-1-carboxamide
CID 89491206
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-iodoethanone
CID 88899532
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide
CID 145380655
3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-oxopropanoic acid
CID 59129263
4-[5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzoic acid
CID 59206759
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-methyl-1H-indol-5-yl)-7,8-dihydroisoquinolin-3-yl]cyclopropane-1-carboxamide
CID 162564198

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine?
The IUPAC name of N-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine (CID 118328223) is N-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine.
What is the SMILES notation for N-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine?
The canonical SMILES for N-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine is C=C(Nc1ccc2[nH]c(C3(C)CC3)cc2c1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.
What is the InChIKey of N-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine?
The InChIKey is XEQUUBJCCKDKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O2/c1-14(23(9-10-23)16-3-6-19-20(13-16)30-24(25,26)29-19)27-17-4-5-18-15(11-17)12-21(28-18)22(2)7-8-22/h3-6,11-13,27-28H,1,7-10H2,2H3.
What are the key properties of N-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine?
N-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine has a molecular weight of 408.45 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethenyl]-2-(1-methylcyclopropyl)-1H-indol-5-amine is sourced from PubChem (CID 118328223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).