1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen

C20H19F3N2O3 — CID 160769889

IUPAC1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESO=C(Nc1cc2[nH]ccc2cc1C(F)(F)F)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H]
InChIInChI=1S/C20H15F3N2O3.2H2/c21-20(22,23)13-7-11-3-6-24-14(11)9-15(13)25-18(26)19(4-5-19)12-1-2-16-17(8-12)28-10-27-16;;/h1-3,6-9,24H,4-5,10H2,(H,25,26);2*1H
InChIKeyRZECTRWLRIQCJA-UHFFFAOYSA-N
MW392.38 g/mol
LogP5.08
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 160769889) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID160769889
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESO=C(Nc1cc2[nH]ccc2cc1C(F)(F)F)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H]
InChIInChI=1S/C20H15F3N2O3.2H2/c21-20(22,23)13-7-11-3-6-24-14(11)9-15(13)25-18(26)19(4-5-19)12-1-2-16-17(8-12)28-10-27-16;;/h1-3,6-9,24H,4-5,10H2,(H,25,26);2*1H
InChIKeyRZECTRWLRIQCJA-UHFFFAOYSA-N
XLogP5.08
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.38
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158814505
1-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide
CID 24763318
1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166214
1-(1,3-benzodioxol-5-yl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159543458
1-(1,3-benzodioxol-5-yl)-N-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 113198918
methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-7-carboxylate
CID 170269909
1-(1,3-benzodioxol-5-yl)-N-[4-[2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59206387
1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158797173
1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159189749
N-[3-[4-acetamido-2-(trifluoromethyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 59206252
1-(1,3-benzodioxol-5-yl)-N-[2-methyl-5-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206827
1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161163136

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen (CID 160769889) is 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen is O=C(Nc1cc2[nH]ccc2cc1C(F)(F)F)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is RZECTRWLRIQCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3.2H2/c21-20(22,23)13-7-11-3-6-24-14(11)9-15(13)25-18(26)19(4-5-19)12-1-2-16-17(8-12)28-10-27-16;;/h1-3,6-9,24H,4-5,10H2,(H,25,26);2*1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 392.38 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 160769889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).