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

C24H24F2N2O5 — CID 59129308

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide
SMILESCCc1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@H](O)CO
InChIInChI=1S/C24H24F2N2O5/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)/t18-/m0/s1
InChIKeySFKFKZSXYSHXSC-SFHVURJKSA-N
MW458.46 g/mol
LogP3.55
Rot. Bonds7

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

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide (PubChem CID 59129308) has the molecular formula C24H24F2N2O5 and a molecular weight of 458.46 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 Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide
PubChem CID59129308
Molecular FormulaC24H24F2N2O5
Molecular Weight458.46 g/mol
Exact Mass458.17
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide
SMILESCCc1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@H](O)CO
InChIInChI=1S/C24H24F2N2O5/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)/t18-/m0/s1
InChIKeySFKFKZSXYSHXSC-SFHVURJKSA-N
XLogP3.55
TPSA92.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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?
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 (CID 59129308) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide.
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?
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 is CCc1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@H](O)CO.
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?
The InChIKey is SFKFKZSXYSHXSC-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24F2N2O5/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)/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?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-2-ethylindol-5-yl]cyclopropane-1-carboxamide has a molecular weight of 458.46 g/mol, XLogP of 3.55, 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 is sourced from PubChem (CID 59129308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).