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

C22H26F2N2O2 — CID 121413959

IUPAC2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1(F)F
InChIInChI=1S/C22H26F2N2O2/c1-4-26(13-12-15-8-7-11-19(25-15)21(2,3)28)20(27)17-10-6-5-9-16(17)18-14-22(18,23)24/h5-11,18,28H,4,12-14H2,1-3H3
InChIKeyYSOUBSCTABQBDI-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.14
Rot. Bonds7

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

2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide (PubChem CID 121413959) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
PubChem CID121413959
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1(F)F
InChIInChI=1S/C22H26F2N2O2/c1-4-26(13-12-15-8-7-11-19(25-15)21(2,3)28)20(27)17-10-6-5-9-16(17)18-14-22(18,23)24/h5-11,18,28H,4,12-14H2,1-3H3
InChIKeyYSOUBSCTABQBDI-UHFFFAOYSA-N
XLogP4.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide (CID 121413959) is 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide is CCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The InChIKey is YSOUBSCTABQBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-4-26(13-12-15-8-7-11-19(25-15)21(2,3)28)20(27)17-10-6-5-9-16(17)18-14-22(18,23)24/h5-11,18,28H,4,12-14H2,1-3H3.
What are the key properties of 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide has a molecular weight of 388.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 121413959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).