5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

C18H15BrClNO4 — CID 18889687

IUPAC5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(CCOc2ccc(Cl)cc2)c2ccc(Br)cc2C12OCCO2
InChIInChI=1S/C18H15BrClNO4/c19-12-1-6-16-15(11-12)18(24-9-10-25-18)17(22)21(16)7-8-23-14-4-2-13(20)3-5-14/h1-6,11H,7-10H2
InChIKeySGXPNSWFRKMSND-UHFFFAOYSA-N
MW424.68 g/mol
LogP3.73
Rot. Bonds4

About 5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 18889687) has the molecular formula C18H15BrClNO4 and a molecular weight of 424.68 g/mol. Its IUPAC name is 5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID18889687
Molecular FormulaC18H15BrClNO4
Molecular Weight424.68 g/mol
Exact Mass422.99
IUPAC Name5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(CCOc2ccc(Cl)cc2)c2ccc(Br)cc2C12OCCO2
InChIInChI=1S/C18H15BrClNO4/c19-12-1-6-16-15(11-12)18(24-9-10-25-18)17(22)21(16)7-8-23-14-4-2-13(20)3-5-14/h1-6,11H,7-10H2
InChIKeySGXPNSWFRKMSND-UHFFFAOYSA-N
XLogP3.73
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.68
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 18889687) is 5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C1N(CCOc2ccc(Cl)cc2)c2ccc(Br)cc2C12OCCO2.
What is the InChIKey of 5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is SGXPNSWFRKMSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClNO4/c19-12-1-6-16-15(11-12)18(24-9-10-25-18)17(22)21(16)7-8-23-14-4-2-13(20)3-5-14/h1-6,11H,7-10H2.
What are the key properties of 5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 424.68 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromo-1'-[2-(4-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 18889687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).