N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide

C21H25F3N2O2 — CID 121413994

IUPACN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1CC(F)(F)F
InChIInChI=1S/C21H25F3N2O2/c1-4-26(12-11-17-10-9-16(14-25-17)20(2,3)28)19(27)18-8-6-5-7-15(18)13-21(22,23)24/h5-10,14,28H,4,11-13H2,1-3H3
InChIKeyYWRNNIKHQITFHG-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.12
Rot. Bonds7

About N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide

N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide (PubChem CID 121413994) has the molecular formula C21H25F3N2O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide
PubChem CID121413994
Molecular FormulaC21H25F3N2O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1CC(F)(F)F
InChIInChI=1S/C21H25F3N2O2/c1-4-26(12-11-17-10-9-16(14-25-17)20(2,3)28)19(27)18-8-6-5-7-15(18)13-21(22,23)24/h5-10,14,28H,4,11-13H2,1-3H3
InChIKeyYWRNNIKHQITFHG-UHFFFAOYSA-N
XLogP4.12
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide (CID 121413994) is N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide is CCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1CC(F)(F)F.
What is the InChIKey of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is YWRNNIKHQITFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O2/c1-4-26(12-11-17-10-9-16(14-25-17)20(2,3)28)19(27)18-8-6-5-7-15(18)13-21(22,23)24/h5-10,14,28H,4,11-13H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide?
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 394.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 121413994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).