N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

C22H24F3N3O3 — CID 71797077

IUPACN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCCc3nc(C4CC4)cc(C(F)(F)F)n3)c2O1
InChIInChI=1S/C22H24F3N3O3/c1-21(2)11-14-4-3-5-16(20(14)31-21)30-12-19(29)26-9-8-18-27-15(13-6-7-13)10-17(28-18)22(23,24)25/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,26,29)
InChIKeyXAXNANKCIDWIAX-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.82
Rot. Bonds7

About N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (PubChem CID 71797077) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
PubChem CID71797077
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCCc3nc(C4CC4)cc(C(F)(F)F)n3)c2O1
InChIInChI=1S/C22H24F3N3O3/c1-21(2)11-14-4-3-5-16(20(14)31-21)30-12-19(29)26-9-8-18-27-15(13-6-7-13)10-17(28-18)22(23,24)25/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,26,29)
InChIKeyXAXNANKCIDWIAX-UHFFFAOYSA-N
XLogP3.82
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (CID 71797077) is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The canonical SMILES for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is CC1(C)Cc2cccc(OCC(=O)NCCc3nc(C4CC4)cc(C(F)(F)F)n3)c2O1.
What is the InChIKey of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The InChIKey is XAXNANKCIDWIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-21(2)11-14-4-3-5-16(20(14)31-21)30-12-19(29)26-9-8-18-27-15(13-6-7-13)10-17(28-18)22(23,24)25/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide has a molecular weight of 435.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is sourced from PubChem (CID 71797077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).