(2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide

C19H16F7N3O3 — CID 166160333

IUPAC(2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESC[C@H]1[C@@H](c2ccc(F)c(F)c2OC(F)F)[C@H](C(=O)Nc2ccnnc2)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C19H16F7N3O3/c1-8-12(10-3-4-11(20)13(21)14(10)31-17(22)23)15(32-18(8,2)19(24,25)26)16(30)29-9-5-6-27-28-7-9/h3-8,12,15,17H,1-2H3,(H,27,29,30)/t8-,12-,15+,18+/m0/s1
InChIKeyFMQHRINDWKUWMN-VSVZXFICSA-N
MW467.34 g/mol
LogP4.43
Rot. Bonds5

About (2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160333) has the molecular formula C19H16F7N3O3 and a molecular weight of 467.34 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160333
Molecular FormulaC19H16F7N3O3
Molecular Weight467.34 g/mol
Exact Mass467.11
IUPAC Name(2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESC[C@H]1[C@@H](c2ccc(F)c(F)c2OC(F)F)[C@H](C(=O)Nc2ccnnc2)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C19H16F7N3O3/c1-8-12(10-3-4-11(20)13(21)14(10)31-17(22)23)15(32-18(8,2)19(24,25)26)16(30)29-9-5-6-27-28-7-9/h3-8,12,15,17H,1-2H3,(H,27,29,30)/t8-,12-,15+,18+/m0/s1
InChIKeyFMQHRINDWKUWMN-VSVZXFICSA-N
XLogP4.43
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160333) is (2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide is C[C@H]1[C@@H](c2ccc(F)c(F)c2OC(F)F)[C@H](C(=O)Nc2ccnnc2)O[C@@]1(C)C(F)(F)F.
What is the InChIKey of (2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is FMQHRINDWKUWMN-VSVZXFICSA-N. The full InChI is InChI=1S/C19H16F7N3O3/c1-8-12(10-3-4-11(20)13(21)14(10)31-17(22)23)15(32-18(8,2)19(24,25)26)16(30)29-9-5-6-27-28-7-9/h3-8,12,15,17H,1-2H3,(H,27,29,30)/t8-,12-,15+,18+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 467.34 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).