2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one

C23H22ClIN2O3 — CID 89102908

IUPAC2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESO=C(CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2)c1ccccc1OCI
InChIInChI=1S/C23H22ClIN2O3/c24-17-10-8-16(9-11-17)21-22(29)27(23(26-21)12-4-1-5-13-23)14-19(28)18-6-2-3-7-20(18)30-15-25/h2-3,6-11H,1,4-5,12-15H2
InChIKeySPZOMDUCJNOGEE-UHFFFAOYSA-N
MW536.80 g/mol
LogP5.29
Rot. Bonds6

About 2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one

2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one (PubChem CID 89102908) has the molecular formula C23H22ClIN2O3 and a molecular weight of 536.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
PubChem CID89102908
Molecular FormulaC23H22ClIN2O3
Molecular Weight536.80 g/mol
Exact Mass536.04
IUPAC Name2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESO=C(CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2)c1ccccc1OCI
InChIInChI=1S/C23H22ClIN2O3/c24-17-10-8-16(9-11-17)21-22(29)27(23(26-21)12-4-1-5-13-23)14-19(28)18-6-2-3-7-20(18)30-15-25/h2-3,6-11H,1,4-5,12-15H2
InChIKeySPZOMDUCJNOGEE-UHFFFAOYSA-N
XLogP5.29
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.80
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The IUPAC name of 2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one (CID 89102908) is 2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one is O=C(CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2)c1ccccc1OCI.
What is the InChIKey of 2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The InChIKey is SPZOMDUCJNOGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClIN2O3/c24-17-10-8-16(9-11-17)21-22(29)27(23(26-21)12-4-1-5-13-23)14-19(28)18-6-2-3-7-20(18)30-15-25/h2-3,6-11H,1,4-5,12-15H2.
What are the key properties of 2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one has a molecular weight of 536.80 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[2-[2-(iodomethoxy)phenyl]-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one is sourced from PubChem (CID 89102908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).