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

C21H26F2N2O2 — CID 121413995

IUPAC2-(2,2-difluoroethyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1CC(F)F
InChIInChI=1S/C21H26F2N2O2/c1-4-25(13-12-16-9-7-11-18(24-16)21(2,3)27)20(26)17-10-6-5-8-15(17)14-19(22)23/h5-11,19,27H,4,12-14H2,1-3H3
InChIKeyJTDGQMOIKFLWJF-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.82
Rot. Bonds8

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

2-(2,2-difluoroethyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide (PubChem CID 121413995) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
PubChem CID121413995
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name2-(2,2-difluoroethyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1CC(F)F
InChIInChI=1S/C21H26F2N2O2/c1-4-25(13-12-16-9-7-11-18(24-16)21(2,3)27)20(26)17-10-6-5-8-15(17)14-19(22)23/h5-11,19,27H,4,12-14H2,1-3H3
InChIKeyJTDGQMOIKFLWJF-UHFFFAOYSA-N
XLogP3.82
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The IUPAC name of 2-(2,2-difluoroethyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide (CID 121413995) is 2-(2,2-difluoroethyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 2-(2,2-difluoroethyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The canonical SMILES for 2-(2,2-difluoroethyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide is CCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The InChIKey is JTDGQMOIKFLWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c1-4-25(13-12-16-9-7-11-18(24-16)21(2,3)27)20(26)17-10-6-5-8-15(17)14-19(22)23/h5-11,19,27H,4,12-14H2,1-3H3.
What are the key properties of 2-(2,2-difluoroethyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
2-(2,2-difluoroethyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide has a molecular weight of 376.45 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 121413995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).