N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide

C26H22Cl3F3N2O3 — CID 24996886

IUPACN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide
SMILESCC1(C)CC(NC(=O)CC(O)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InChIInChI=1S/C26H22Cl3F3N2O3/c1-25(2)12-20(33-22(36)11-21(35)26(30,31)32)18-10-17(13-3-5-14(27)6-4-13)23(34-24(18)37-25)16-8-7-15(28)9-19(16)29/h3-10,20-21,35H,11-12H2,1-2H3,(H,33,36)
InChIKeyONIULYGRFWGEHO-UHFFFAOYSA-N
MW573.83 g/mol
LogP7.41
Rot. Bonds5

About N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide

N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide (PubChem CID 24996886) has the molecular formula C26H22Cl3F3N2O3 and a molecular weight of 573.83 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide
PubChem CID24996886
Molecular FormulaC26H22Cl3F3N2O3
Molecular Weight573.83 g/mol
Exact Mass572.06
IUPAC NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide
SMILESCC1(C)CC(NC(=O)CC(O)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InChIInChI=1S/C26H22Cl3F3N2O3/c1-25(2)12-20(33-22(36)11-21(35)26(30,31)32)18-10-17(13-3-5-14(27)6-4-13)23(34-24(18)37-25)16-8-7-15(28)9-19(16)29/h3-10,20-21,35H,11-12H2,1-2H3,(H,33,36)
InChIKeyONIULYGRFWGEHO-UHFFFAOYSA-N
XLogP7.41
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.83
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide?
The IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide (CID 24996886) is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide is CC1(C)CC(NC(=O)CC(O)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1.
What is the InChIKey of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide?
The InChIKey is ONIULYGRFWGEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl3F3N2O3/c1-25(2)12-20(33-22(36)11-21(35)26(30,31)32)18-10-17(13-3-5-14(27)6-4-13)23(34-24(18)37-25)16-8-7-15(28)9-19(16)29/h3-10,20-21,35H,11-12H2,1-2H3,(H,33,36).
What are the key properties of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide?
N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide has a molecular weight of 573.83 g/mol, XLogP of 7.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide is sourced from PubChem (CID 24996886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).