6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide

C20H17Cl2F3N2O2 — CID 53373886

IUPAC6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)OC2)nc1C
InChIInChI=1S/C20H17Cl2F3N2O2/c1-3-26-18(28)16-4-5-17(27-11(16)2)12-9-19(29-10-12,20(23,24)25)13-6-14(21)8-15(22)7-13/h4-9H,3,10H2,1-2H3,(H,26,28)
InChIKeyCTOZWYWBZQEVPZ-UHFFFAOYSA-N
MW445.27 g/mol
LogP5.32
Rot. Bonds4

About 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide

6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide (PubChem CID 53373886) has the molecular formula C20H17Cl2F3N2O2 and a molecular weight of 445.27 g/mol. Its IUPAC name is 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide
PubChem CID53373886
Molecular FormulaC20H17Cl2F3N2O2
Molecular Weight445.27 g/mol
Exact Mass444.06
IUPAC Name6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)OC2)nc1C
InChIInChI=1S/C20H17Cl2F3N2O2/c1-3-26-18(28)16-4-5-17(27-11(16)2)12-9-19(29-10-12,20(23,24)25)13-6-14(21)8-15(22)7-13/h4-9H,3,10H2,1-2H3,(H,26,28)
InChIKeyCTOZWYWBZQEVPZ-UHFFFAOYSA-N
XLogP5.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.27
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylate
CID 67375724
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 53374004
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide
CID 53374115
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-(methoxyiminomethyl)-2-methylbenzamide
CID 137058833
tert-butyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methylbenzoate;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methylbenzoic acid
CID 159591302
6-chloro-N-ethyl-2-methylpyridine-3-carboxamide
CID 130963544
tert-butyl 4-bromo-2-methylbenzoate;tert-butyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methylbenzoate;methane;tributyl-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]stannane
CID 158970040
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(2R)-1-methylsulfanylpropan-2-yl]naphthalene-1-carboxamide
CID 68515544
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 91379496
6-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-N-(thietan-2-ylmethyl)pyridine-3-carboxamide
CID 56960621
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 91583660
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide
CID 91213501

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide (CID 53373886) is 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide is CCNC(=O)c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)OC2)nc1C.
What is the InChIKey of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide?
The InChIKey is CTOZWYWBZQEVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F3N2O2/c1-3-26-18(28)16-4-5-17(27-11(16)2)12-9-19(29-10-12,20(23,24)25)13-6-14(21)8-15(22)7-13/h4-9H,3,10H2,1-2H3,(H,26,28).
What are the key properties of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide?
6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide has a molecular weight of 445.27 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 53373886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).