(5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one

C24H25Cl2NO4 — CID 67374307

IUPAC(5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOCCO[C@@H]1CCC[C@]2(C1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1Cl)=C2O
InChIInChI=1S/C24H25Cl2NO4/c1-30-11-12-31-18-3-2-10-24(14-18)22(28)21(23(29)27-24)19-13-16(6-9-20(19)26)15-4-7-17(25)8-5-15/h4-9,13,18,28H,2-3,10-12,14H2,1H3,(H,27,29)/t18-,24-/m1/s1
InChIKeyHFUONPIFKNVMHO-HOYKHHGWSA-N
MW462.37 g/mol
LogP5.40
Rot. Bonds6

About (5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one

(5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 67374307) has the molecular formula C24H25Cl2NO4 and a molecular weight of 462.37 g/mol. Its IUPAC name is (5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name(5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID67374307
Molecular FormulaC24H25Cl2NO4
Molecular Weight462.37 g/mol
Exact Mass461.12
IUPAC Name(5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOCCO[C@@H]1CCC[C@]2(C1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1Cl)=C2O
InChIInChI=1S/C24H25Cl2NO4/c1-30-11-12-31-18-3-2-10-24(14-18)22(28)21(23(29)27-24)19-13-16(6-9-20(19)26)15-4-7-17(25)8-5-15/h4-9,13,18,28H,2-3,10-12,14H2,1H3,(H,27,29)/t18-,24-/m1/s1
InChIKeyHFUONPIFKNVMHO-HOYKHHGWSA-N
XLogP5.40
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.37
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of (5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one (CID 67374307) is (5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for (5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for (5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one is COCCO[C@@H]1CCC[C@]2(C1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1Cl)=C2O.
What is the InChIKey of (5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is HFUONPIFKNVMHO-HOYKHHGWSA-N. The full InChI is InChI=1S/C24H25Cl2NO4/c1-30-11-12-31-18-3-2-10-24(14-18)22(28)21(23(29)27-24)19-13-16(6-9-20(19)26)15-4-7-17(25)8-5-15/h4-9,13,18,28H,2-3,10-12,14H2,1H3,(H,27,29)/t18-,24-/m1/s1.
What are the key properties of (5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one?
(5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 462.37 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 67374307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).