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

C26H23Cl2F3N2O4 — CID 143730480

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

N-[7-(4-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide (PubChem CID 143730480) has the molecular formula C26H23Cl2F3N2O4 and a molecular weight of 555.38 g/mol. Its IUPAC name is N-[7-(4-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide.

Molecular Properties

• Compound Name: N-[7-(4-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide
• PubChem CID: 143730480
• Molecular Formula: C26H23Cl2F3N2O4
• Molecular Weight: 555.38 g/mol
• Exact Mass: 554.10
• IUPAC Name: N-[7-(4-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide
• SMILES: CC1(C)CC(NC(=O)CC(O)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3O)nc2O1
• InChI: InChI=1S/C26H23Cl2F3N2O4/c1-25(2)12-19(32-22(36)11-21(35)26(29,30)31)18-10-17(13-3-5-14(27)6-4-13)23(33-24(18)37-25)16-8-7-15(28)9-20(16)34/h3-10,19,21,34-35H,11-12H2,1-2H3,(H,32,36)
• InChIKey: MJFWTTVRDUEBEJ-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 91.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.38
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide?

The IUPAC name of N-[7-(4-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide (CID 143730480) is N-[7-(4-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-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-[7-(4-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide?

The canonical SMILES for N-[7-(4-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-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)cc3O)nc2O1.

What is the InChIKey of N-[7-(4-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide?

The InChIKey is MJFWTTVRDUEBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2F3N2O4/c1-25(2)12-19(32-22(36)11-21(35)26(29,30)31)18-10-17(13-3-5-14(27)6-4-13)23(33-24(18)37-25)16-8-7-15(28)9-20(16)34/h3-10,19,21,34-35H,11-12H2,1-2H3,(H,32,36).

What are the key properties of N-[7-(4-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide?

N-[7-(4-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide has a molecular weight of 555.38 g/mol, XLogP of 6.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(4-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4,4,4-trifluoro-3-hydroxybutanamide is sourced from PubChem (CID 143730480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).