N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide

C25H19Cl3N2O5 — CID 10052826

IUPACN-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide
SMILESCC(C)(O)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)CO
InChIInChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(H,29,32)
InChIKeyYMHFHDKDDMBMLK-UHFFFAOYSA-N
MW533.80 g/mol
LogP6.01
Rot. Bonds6

About N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide

N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide (PubChem CID 10052826) has the molecular formula C25H19Cl3N2O5 and a molecular weight of 533.80 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide
PubChem CID10052826
Molecular FormulaC25H19Cl3N2O5
Molecular Weight533.80 g/mol
Exact Mass532.04
IUPAC NameN-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide
SMILESCC(C)(O)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)CO
InChIInChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(H,29,32)
InChIKeyYMHFHDKDDMBMLK-UHFFFAOYSA-N
XLogP6.01
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.80
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide (CID 10052826) is N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide is CC(C)(O)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)CO.
What is the InChIKey of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide?
The InChIKey is YMHFHDKDDMBMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(H,29,32).
What are the key properties of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide?
N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide has a molecular weight of 533.80 g/mol, XLogP of 6.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide is sourced from PubChem (CID 10052826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).