1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

C24H26F2N2O5 — CID 159516358

About 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159516358) has the molecular formula C24H26F2N2O5 and a molecular weight of 460.48 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 159516358
• Molecular Formula: C24H26F2N2O5
• Molecular Weight: 460.48 g/mol
• Exact Mass: 460.18
• IUPAC Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CCc1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@H](O)CO.[H][H]
• InChI: InChI=1S/C24H24F2N2O5.H2/c1-2-17-10-14-9-16(4-5-19(14)28(17)12-18(30)13-29)27-22(31)23(7-8-23)15-3-6-20-21(11-15)33-24(25,26)32-20;/h3-6,9-11,18,29-30H,2,7-8,12-13H2,1H3,(H,27,31);1H/t18-;/m0./s1
• InChIKey: MBGBGLIUJIRXHN-FERBBOLQSA-N
• XLogP: 3.79
• TPSA: 92.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.48
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (CID 159516358) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is CCc1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@H](O)CO.[H][H].

What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is MBGBGLIUJIRXHN-FERBBOLQSA-N. The full InChI is InChI=1S/C24H24F2N2O5.H2/c1-2-17-10-14-9-16(4-5-19(14)28(17)12-18(30)13-29)27-22(31)23(7-8-23)15-3-6-20-21(11-15)33-24(25,26)32-20;/h3-6,9-11,18,29-30H,2,7-8,12-13H2,1H3,(H,27,31);1H/t18-;/m0./s1.

What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 460.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159516358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).