8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

C22H22Cl4N2O2 — CID 3077282

IUPAC8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESC=C1N(c2ccc(Cl)c(Cl)c2)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2.Cl
InChIInChI=1S/C22H21Cl3N2O2.ClH/c1-15-22(29-21(28)27(15)18-6-7-19(24)20(25)14-18)9-12-26(13-10-22)11-8-16-2-4-17(23)5-3-16;/h2-7,14H,1,8-13H2;1H
InChIKeyXVFPHMGHSWAJHJ-UHFFFAOYSA-N
MW488.24 g/mol
LogP6.62
Rot. Bonds4

About 8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 3077282) has the molecular formula C22H22Cl4N2O2 and a molecular weight of 488.24 g/mol. Its IUPAC name is 8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID3077282
Molecular FormulaC22H22Cl4N2O2
Molecular Weight488.24 g/mol
Exact Mass486.04
IUPAC Name8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESC=C1N(c2ccc(Cl)c(Cl)c2)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2.Cl
InChIInChI=1S/C22H21Cl3N2O2.ClH/c1-15-22(29-21(28)27(15)18-6-7-19(24)20(25)14-18)9-12-26(13-10-22)11-8-16-2-4-17(23)5-3-16;/h2-7,14H,1,8-13H2;1H
InChIKeyXVFPHMGHSWAJHJ-UHFFFAOYSA-N
XLogP6.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.24
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride 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 8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (CID 3077282) is 8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is C=C1N(c2ccc(Cl)c(Cl)c2)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2.Cl.
What is the InChIKey of 8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is XVFPHMGHSWAJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl3N2O2.ClH/c1-15-22(29-21(28)27(15)18-6-7-19(24)20(25)14-18)9-12-26(13-10-22)11-8-16-2-4-17(23)5-3-16;/h2-7,14H,1,8-13H2;1H.
What are the key properties of 8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 488.24 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 3077282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).