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

C20H15F3N2O3 — CID 46199079

IUPAC1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc2[nH]ccc2cc1C(F)(F)F)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C20H15F3N2O3/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)
InChIKeyGJHZNKRIGJFRRR-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.59
Rot. Bonds3

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

1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide (PubChem CID 46199079) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide
PubChem CID46199079
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc2[nH]ccc2cc1C(F)(F)F)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C20H15F3N2O3/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)
InChIKeyGJHZNKRIGJFRRR-UHFFFAOYSA-N
XLogP4.59
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide (CID 46199079) is 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide is O=C(Nc1cc2[nH]ccc2cc1C(F)(F)F)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide?
The InChIKey is GJHZNKRIGJFRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/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).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 4.59, 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 is sourced from PubChem (CID 46199079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).