N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide

C20H18F6N2O2 — CID 42796235

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide
SMILESO=C(C1CCOC1)N(Cc1ccncc1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18F6N2O2/c21-19(22,23)16-7-14(8-17(9-16)20(24,25)26)11-28(10-13-1-4-27-5-2-13)18(29)15-3-6-30-12-15/h1-2,4-5,7-9,15H,3,6,10-12H2
InChIKeyWRLGBUHJVYMEDR-UHFFFAOYSA-N
MW432.36 g/mol
LogP4.68
Rot. Bonds5

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide (PubChem CID 42796235) has the molecular formula C20H18F6N2O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide
PubChem CID42796235
Molecular FormulaC20H18F6N2O2
Molecular Weight432.36 g/mol
Exact Mass432.13
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide
SMILESO=C(C1CCOC1)N(Cc1ccncc1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18F6N2O2/c21-19(22,23)16-7-14(8-17(9-16)20(24,25)26)11-28(10-13-1-4-27-5-2-13)18(29)15-3-6-30-12-15/h1-2,4-5,7-9,15H,3,6,10-12H2
InChIKeyWRLGBUHJVYMEDR-UHFFFAOYSA-N
XLogP4.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide (CID 42796235) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide is O=C(C1CCOC1)N(Cc1ccncc1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide?
The InChIKey is WRLGBUHJVYMEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N2O2/c21-19(22,23)16-7-14(8-17(9-16)20(24,25)26)11-28(10-13-1-4-27-5-2-13)18(29)15-3-6-30-12-15/h1-2,4-5,7-9,15H,3,6,10-12H2.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide has a molecular weight of 432.36 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 42796235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).