1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide

C23H21FN2O3 — CID 24762900

IUPAC1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide
SMILESCC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)c(F)cc3[nH]2)CC1
InChIInChI=1S/C23H21FN2O3/c1-22(4-5-22)20-9-13-8-17(15(24)11-16(13)25-20)26-21(27)23(6-7-23)14-2-3-18-19(10-14)29-12-28-18/h2-3,8-11,25H,4-7,12H2,1H3,(H,26,27)
InChIKeyZWRQEGBPDLHYHB-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.76
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide (PubChem CID 24762900) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide
PubChem CID24762900
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide
SMILESCC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)c(F)cc3[nH]2)CC1
InChIInChI=1S/C23H21FN2O3/c1-22(4-5-22)20-9-13-8-17(15(24)11-16(13)25-20)26-21(27)23(6-7-23)14-2-3-18-19(10-14)29-12-28-18/h2-3,8-11,25H,4-7,12H2,1H3,(H,26,27)
InChIKeyZWRQEGBPDLHYHB-UHFFFAOYSA-N
XLogP4.76
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.76
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-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide (CID 24762900) is 1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide is CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)c(F)cc3[nH]2)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide?
The InChIKey is ZWRQEGBPDLHYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-22(4-5-22)20-9-13-8-17(15(24)11-16(13)25-20)26-21(27)23(6-7-23)14-2-3-18-19(10-14)29-12-28-18/h2-3,8-11,25H,4-7,12H2,1H3,(H,26,27).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.76, 4 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-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 24762900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).