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

C19H16F7N3O3 — CID 172713074

IUPAC3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCC1C(c2ccc(F)c(F)c2OC(F)F)C(C(=O)Nc2ccnnc2)OC1(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)
InChIKeyFMQHRINDWKUWMN-UHFFFAOYSA-N
MW467.34 g/mol
LogP4.43
Rot. Bonds5

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

3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 172713074) has the molecular formula C19H16F7N3O3 and a molecular weight of 467.34 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID172713074
Molecular FormulaC19H16F7N3O3
Molecular Weight467.34 g/mol
Exact Mass467.11
IUPAC Name3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCC1C(c2ccc(F)c(F)c2OC(F)F)C(C(=O)Nc2ccnnc2)OC1(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)
InChIKeyFMQHRINDWKUWMN-UHFFFAOYSA-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

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Related Compounds

(2R,3S,4S,5R)-N-(2-bromo-5-methyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 156445092
N-(2-bromo-5-methyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 156445095
(2R,3R,4S,5R)-N-[2-(aminomethyl)-4-pyridinyl]-3-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 156463140
3-(3,4-difluoro-2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)oxolane-2-carboxamide;ethane;formamide
CID 156750159
(4S,5R)-N-(2-bromo-5-methyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 156750170
(2S,3R,5S)-N-[2-[amino(methoxy)methyl]-4-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 156750318
(2S)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-(2-hydroxyethyl)-3-pyridinyl]-4-methyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166158913
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166158983
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166159030
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1R)-2-fluoro-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166159076
4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 166159940
(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-oxoethoxy)phenyl]-4,5-dimethyl-N-[2-methyl-5-[(3S)-oxolan-3-yl]-3-pyridinyl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160142

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of 3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 172713074) is 3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for 3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for 3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide is CC1C(c2ccc(F)c(F)c2OC(F)F)C(C(=O)Nc2ccnnc2)OC1(C)C(F)(F)F.
What is the InChIKey of 3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is FMQHRINDWKUWMN-UHFFFAOYSA-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).
What are the key properties of 3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide?
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 3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 172713074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).