1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide

C24H20F2N2O3 — CID 59166040

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCCc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccccc1
InChIInChI=1S/C24H20F2N2O3/c1-2-15-8-11-20(27-21(15)16-6-4-3-5-7-16)28-22(29)23(12-13-23)17-9-10-18-19(14-17)31-24(25,26)30-18/h3-11,14H,2,12-13H2,1H3,(H,27,28,29)
InChIKeyQZSWMCOFCDVPEC-UHFFFAOYSA-N
MW422.43 g/mol
LogP5.30
Rot. Bonds5

About 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 59166040) has the molecular formula C24H20F2N2O3 and a molecular weight of 422.43 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID59166040
Molecular FormulaC24H20F2N2O3
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCCc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccccc1
InChIInChI=1S/C24H20F2N2O3/c1-2-15-8-11-20(27-21(15)16-6-4-3-5-7-16)28-22(29)23(12-13-23)17-9-10-18-19(14-17)31-24(25,26)30-18/h3-11,14H,2,12-13H2,1H3,(H,27,28,29)
InChIKeyQZSWMCOFCDVPEC-UHFFFAOYSA-N
XLogP5.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide (CID 59166040) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide is CCc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccccc1.
What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is QZSWMCOFCDVPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O3/c1-2-15-8-11-20(27-21(15)16-6-4-3-5-7-16)28-22(29)23(12-13-23)17-9-10-18-19(14-17)31-24(25,26)30-18/h3-11,14H,2,12-13H2,1H3,(H,27,28,29).
What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 422.43 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-ethyl-6-phenyl-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 59166040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).