(1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen

C20H20F4N2O2 — CID 142490099

IUPAC(1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen
SMILESCc1cc([C@@H]2[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)[C@@H]3O[C@H]2C[C@H]3F)ccn1.[H][H]
InChIInChI=1S/C20H18F4N2O2.H2/c1-10-7-11(5-6-25-10)16-15-9-14(21)18(28-15)17(16)19(27)26-13-4-2-3-12(8-13)20(22,23)24;/h2-8,14-18H,9H2,1H3,(H,26,27);1H/t14-,15+,16+,17-,18-;/m1./s1
InChIKeyVXMGWRPXAOYMFF-NLAKACFYSA-N
MW396.38 g/mol
LogP4.50
Rot. Bonds3

About (1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen

(1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen (PubChem CID 142490099) has the molecular formula C20H20F4N2O2 and a molecular weight of 396.38 g/mol. Its IUPAC name is (1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen
PubChem CID142490099
Molecular FormulaC20H20F4N2O2
Molecular Weight396.38 g/mol
Exact Mass396.15
IUPAC Name(1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen
SMILESCc1cc([C@@H]2[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)[C@@H]3O[C@H]2C[C@H]3F)ccn1.[H][H]
InChIInChI=1S/C20H18F4N2O2.H2/c1-10-7-11(5-6-25-10)16-15-9-14(21)18(28-15)17(16)19(27)26-13-4-2-3-12(8-13)20(22,23)24;/h2-8,14-18H,9H2,1H3,(H,26,27);1H/t14-,15+,16+,17-,18-;/m1./s1
InChIKeyVXMGWRPXAOYMFF-NLAKACFYSA-N
XLogP4.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen?
The IUPAC name of (1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen (CID 142490099) is (1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen.
What is the SMILES notation for (1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen?
The canonical SMILES for (1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen is Cc1cc([C@@H]2[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)[C@@H]3O[C@H]2C[C@H]3F)ccn1.[H][H].
What is the InChIKey of (1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen?
The InChIKey is VXMGWRPXAOYMFF-NLAKACFYSA-N. The full InChI is InChI=1S/C20H18F4N2O2.H2/c1-10-7-11(5-6-25-10)16-15-9-14(21)18(28-15)17(16)19(27)26-13-4-2-3-12(8-13)20(22,23)24;/h2-8,14-18H,9H2,1H3,(H,26,27);1H/t14-,15+,16+,17-,18-;/m1./s1.
What are the key properties of (1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen?
(1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen has a molecular weight of 396.38 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4S,6R)-6-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 142490099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).