2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione

C24H23Cl2NO4 — CID 123689759

IUPAC2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione
SMILESCC1COC2(CCC3(CC2)NC(=O)C(c2cc(-c4ccc(Cl)cc4)ccc2Cl)C3=O)O1
InChIInChI=1S/C24H23Cl2NO4/c1-14-13-30-24(31-14)10-8-23(9-11-24)21(28)20(22(29)27-23)18-12-16(4-7-19(18)26)15-2-5-17(25)6-3-15/h2-7,12,14,20H,8-11,13H2,1H3,(H,27,29)
InChIKeyIODKHTYMEWMLMY-UHFFFAOYSA-N
MW460.36 g/mol
LogP4.89
Rot. Bonds2

About 2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione

2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione (PubChem CID 123689759) has the molecular formula C24H23Cl2NO4 and a molecular weight of 460.36 g/mol. Its IUPAC name is 2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione.

Molecular Properties

Compound Name2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione
PubChem CID123689759
Molecular FormulaC24H23Cl2NO4
Molecular Weight460.36 g/mol
Exact Mass459.10
IUPAC Name2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione
SMILESCC1COC2(CCC3(CC2)NC(=O)C(c2cc(-c4ccc(Cl)cc4)ccc2Cl)C3=O)O1
InChIInChI=1S/C24H23Cl2NO4/c1-14-13-30-24(31-14)10-8-23(9-11-24)21(28)20(22(29)27-23)18-12-16(4-7-19(18)26)15-2-5-17(25)6-3-15/h2-7,12,14,20H,8-11,13H2,1H3,(H,27,29)
InChIKeyIODKHTYMEWMLMY-UHFFFAOYSA-N
XLogP4.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[2-chloro-5-(3,4-difluorophenyl)phenyl]-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 77242693
3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 123284062
3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 123302144
3-(4-bromo-2-chloro-5-methylphenyl)-7-methyl-8-oxa-1-azaspiro[4.5]decane-2,4-dione
CID 91097242
3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione
CID 91213569
3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione
CID 123475658
3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 22327495
4-[5-(4-chlorophenyl)-2-methylphenyl]-2,2-dimethyloxane-3,5-dione
CID 67072682
3-[2-chloro-5-(4-chlorophenyl)phenyl]-8-(trifluoromethyl)azecane-2,4-dione
CID 123614323
3-[2-chloro-4-(4-chlorophenyl)phenyl]-5,5-dimethyloxolane-2,4-dione
CID 90823705
3-(2-chloro-4,6-dimethylphenyl)-7-methyl-8-oxa-1-azaspiro[4.5]decane-2,4-dione
CID 91132647
3-(2-bromo-5-methylphenyl)-8-(hydroxymethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 91082578

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione?
The IUPAC name of 2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione (CID 123689759) is 2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione.
What is the SMILES notation for 2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione?
The canonical SMILES for 2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione is CC1COC2(CCC3(CC2)NC(=O)C(c2cc(-c4ccc(Cl)cc4)ccc2Cl)C3=O)O1.
What is the InChIKey of 2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione?
The InChIKey is IODKHTYMEWMLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2NO4/c1-14-13-30-24(31-14)10-8-23(9-11-24)21(28)20(22(29)27-23)18-12-16(4-7-19(18)26)15-2-5-17(25)6-3-15/h2-7,12,14,20H,8-11,13H2,1H3,(H,27,29).
What are the key properties of 2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione?
2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione has a molecular weight of 460.36 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione is sourced from PubChem (CID 123689759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).