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

C25H21Cl3F2N2O3 — CID 46888719

IUPACN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,2-difluoro-3-hydroxypropanamide
SMILESCC1(C)CC(NC(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InChIInChI=1S/C25H21Cl3F2N2O3/c1-24(2)11-20(31-23(34)25(29,30)12-33)18-10-17(13-3-5-14(26)6-4-13)21(32-22(18)35-24)16-8-7-15(27)9-19(16)28/h3-10,20,33H,11-12H2,1-2H3,(H,31,34)
InChIKeyMCGIWMYXNXWIGG-UHFFFAOYSA-N
MW541.81 g/mol
LogP6.72
Rot. Bonds5

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

N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,2-difluoro-3-hydroxypropanamide (PubChem CID 46888719) has the molecular formula C25H21Cl3F2N2O3 and a molecular weight of 541.81 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]-2,2-difluoro-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,2-difluoro-3-hydroxypropanamide
PubChem CID46888719
Molecular FormulaC25H21Cl3F2N2O3
Molecular Weight541.81 g/mol
Exact Mass540.06
IUPAC NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,2-difluoro-3-hydroxypropanamide
SMILESCC1(C)CC(NC(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
InChIInChI=1S/C25H21Cl3F2N2O3/c1-24(2)11-20(31-23(34)25(29,30)12-33)18-10-17(13-3-5-14(26)6-4-13)21(32-22(18)35-24)16-8-7-15(27)9-19(16)28/h3-10,20,33H,11-12H2,1-2H3,(H,31,34)
InChIKeyMCGIWMYXNXWIGG-UHFFFAOYSA-N
XLogP6.72
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.81
LogP ≤ 56.72
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]-2,2-difluoro-3-hydroxypropanamide 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]-2,2-difluoro-3-hydroxypropanamide?
The IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,2-difluoro-3-hydroxypropanamide (CID 46888719) is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,2-difluoro-3-hydroxypropanamide.
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]-2,2-difluoro-3-hydroxypropanamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,2-difluoro-3-hydroxypropanamide is CC1(C)CC(NC(=O)C(F)(F)CO)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]-2,2-difluoro-3-hydroxypropanamide?
The InChIKey is MCGIWMYXNXWIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl3F2N2O3/c1-24(2)11-20(31-23(34)25(29,30)12-33)18-10-17(13-3-5-14(26)6-4-13)21(32-22(18)35-24)16-8-7-15(27)9-19(16)28/h3-10,20,33H,11-12H2,1-2H3,(H,31,34).
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]-2,2-difluoro-3-hydroxypropanamide?
N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,2-difluoro-3-hydroxypropanamide has a molecular weight of 541.81 g/mol, XLogP of 6.72, 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]-2,2-difluoro-3-hydroxypropanamide is sourced from PubChem (CID 46888719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).