1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea

C26H23Cl2N3O4 — CID 67100711

IUPAC1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea
SMILESCCN(C(N)=O)c1c(C(=O)C(C)(C)O)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H23Cl2N3O4/c1-4-31(25(29)33)21-18-13-17(14-9-11-15(27)12-10-14)20(16-7-5-6-8-19(16)28)30-24(18)35-22(21)23(32)26(2,3)34/h5-13,34H,4H2,1-3H3,(H2,29,33)
InChIKeyPNMJBXIUHOPAHG-UHFFFAOYSA-N
MW512.39 g/mol
LogP6.33
Rot. Bonds6

About 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea

1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea (PubChem CID 67100711) has the molecular formula C26H23Cl2N3O4 and a molecular weight of 512.39 g/mol. Its IUPAC name is 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea.

Molecular Properties

Compound Name1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea
PubChem CID67100711
Molecular FormulaC26H23Cl2N3O4
Molecular Weight512.39 g/mol
Exact Mass511.11
IUPAC Name1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea
SMILESCCN(C(N)=O)c1c(C(=O)C(C)(C)O)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H23Cl2N3O4/c1-4-31(25(29)33)21-18-13-17(14-9-11-15(27)12-10-14)20(16-7-5-6-8-19(16)28)30-24(18)35-22(21)23(32)26(2,3)34/h5-13,34H,4H2,1-3H3,(H2,29,33)
InChIKeyPNMJBXIUHOPAHG-UHFFFAOYSA-N
XLogP6.33
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.39
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea?
The IUPAC name of 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea (CID 67100711) is 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea.
What is the SMILES notation for 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea?
The canonical SMILES for 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea is CCN(C(N)=O)c1c(C(=O)C(C)(C)O)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea?
The InChIKey is PNMJBXIUHOPAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O4/c1-4-31(25(29)33)21-18-13-17(14-9-11-15(27)12-10-14)20(16-7-5-6-8-19(16)28)30-24(18)35-22(21)23(32)26(2,3)34/h5-13,34H,4H2,1-3H3,(H2,29,33).
What are the key properties of 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea?
1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea has a molecular weight of 512.39 g/mol, XLogP of 6.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]-1-ethylurea is sourced from PubChem (CID 67100711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).