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

C25H19BrCl2N2O4 — CID 59830454

IUPACN-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)C(C)(C)O)oc2nc(-c3ccc(Br)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H19BrCl2N2O4/c1-12(31)29-21-18-11-17(13-4-7-15(27)8-5-13)20(16-9-6-14(26)10-19(16)28)30-24(18)34-22(21)23(32)25(2,3)33/h4-11,33H,1-3H3,(H,29,31)
InChIKeyHOVAHKHSQAIJEP-UHFFFAOYSA-N
MW562.25 g/mol
LogP7.14
Rot. Bonds5

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

N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide (PubChem CID 59830454) has the molecular formula C25H19BrCl2N2O4 and a molecular weight of 562.25 g/mol. Its IUPAC name is N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide
PubChem CID59830454
Molecular FormulaC25H19BrCl2N2O4
Molecular Weight562.25 g/mol
Exact Mass559.99
IUPAC NameN-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)C(C)(C)O)oc2nc(-c3ccc(Br)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H19BrCl2N2O4/c1-12(31)29-21-18-11-17(13-4-7-15(27)8-5-13)20(16-9-6-14(26)10-19(16)28)30-24(18)34-22(21)23(32)25(2,3)33/h4-11,33H,1-3H3,(H,29,31)
InChIKeyHOVAHKHSQAIJEP-UHFFFAOYSA-N
XLogP7.14
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.25
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide (CID 59830454) is N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide is CC(=O)Nc1c(C(=O)C(C)(C)O)oc2nc(-c3ccc(Br)cc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is HOVAHKHSQAIJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrCl2N2O4/c1-12(31)29-21-18-11-17(13-4-7-15(27)8-5-13)20(16-9-6-14(26)10-19(16)28)30-24(18)34-22(21)23(32)25(2,3)33/h4-11,33H,1-3H3,(H,29,31).
What are the key properties of N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide?
N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 562.25 g/mol, XLogP of 7.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 59830454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).