2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide

C21H19F3N2O3 — CID 67291122

IUPAC2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C21H19F3N2O3/c1-13(18-9-8-16(11-25-18)28-12-21(22,23)24)26-20(27)17-10-19(29-14(17)2)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,26,27)/t13-/m1/s1
InChIKeyXRLISBBNKZPXKG-CYBMUJFWSA-N
MW404.39 g/mol
LogP5.08
Rot. Bonds6

About 2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide

2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide (PubChem CID 67291122) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide
PubChem CID67291122
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC Name2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C21H19F3N2O3/c1-13(18-9-8-16(11-25-18)28-12-21(22,23)24)26-20(27)17-10-19(29-14(17)2)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,26,27)/t13-/m1/s1
InChIKeyXRLISBBNKZPXKG-CYBMUJFWSA-N
XLogP5.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide (CID 67291122) is 2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide is Cc1oc(-c2ccccc2)cc1C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide?
The InChIKey is XRLISBBNKZPXKG-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-13(18-9-8-16(11-25-18)28-12-21(22,23)24)26-20(27)17-10-19(29-14(17)2)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,26,27)/t13-/m1/s1.
What are the key properties of 2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide?
2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 67291122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).