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

C26H22Cl2N2O3 — CID 10367921

IUPACN-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H22Cl2N2O3/c1-14(31)29-22-19-13-18(15-9-11-16(27)12-10-15)21(17-7-5-6-8-20(17)28)30-25(19)33-23(22)24(32)26(2,3)4/h5-13H,1-4H3,(H,29,31)
InChIKeyMEJPFDSDXIJBSI-UHFFFAOYSA-N
MW481.38 g/mol
LogP7.66
Rot. Bonds4

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

N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide (PubChem CID 10367921) has the molecular formula C26H22Cl2N2O3 and a molecular weight of 481.38 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide
PubChem CID10367921
Molecular FormulaC26H22Cl2N2O3
Molecular Weight481.38 g/mol
Exact Mass480.10
IUPAC NameN-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H22Cl2N2O3/c1-14(31)29-22-19-13-18(15-9-11-16(27)12-10-15)21(17-7-5-6-8-20(17)28)30-25(19)33-23(22)24(32)26(2,3)4/h5-13H,1-4H3,(H,29,31)
InChIKeyMEJPFDSDXIJBSI-UHFFFAOYSA-N
XLogP7.66
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide (CID 10367921) is N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide is CC(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is MEJPFDSDXIJBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2O3/c1-14(31)29-22-19-13-18(15-9-11-16(27)12-10-15)21(17-7-5-6-8-20(17)28)30-25(19)33-23(22)24(32)26(2,3)4/h5-13H,1-4H3,(H,29,31).
What are the key properties of N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide?
N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 481.38 g/mol, XLogP of 7.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 10367921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).