2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide

C20H24F2N2O3 — CID 121413985

IUPAC2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C20H24F2N2O3/c1-4-24(13-12-14-8-7-11-17(23-14)20(2,3)26)18(25)15-9-5-6-10-16(15)27-19(21)22/h5-11,19,26H,4,12-13H2,1-3H3
InChIKeyPEWQQJIYYABBSP-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.62
Rot. Bonds8

About 2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide

2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide (PubChem CID 121413985) has the molecular formula C20H24F2N2O3 and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
PubChem CID121413985
Molecular FormulaC20H24F2N2O3
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC Name2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C20H24F2N2O3/c1-4-24(13-12-14-8-7-11-17(23-14)20(2,3)26)18(25)15-9-5-6-10-16(15)27-19(21)22/h5-11,19,26H,4,12-13H2,1-3H3
InChIKeyPEWQQJIYYABBSP-UHFFFAOYSA-N
XLogP3.62
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide (CID 121413985) is 2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide is CCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The InChIKey is PEWQQJIYYABBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3/c1-4-24(13-12-14-8-7-11-17(23-14)20(2,3)26)18(25)15-9-5-6-10-16(15)27-19(21)22/h5-11,19,26H,4,12-13H2,1-3H3.
What are the key properties of 2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide has a molecular weight of 378.42 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 121413985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).