(2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine

C15H19Cl2N3O — CID 129056819

IUPAC(2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine
SMILESClc1ccc(NN2C[C@]3(CC4CCC3CC4)ON2)cc1Cl
InChIInChI=1S/C15H19Cl2N3O/c16-13-6-5-12(7-14(13)17)18-20-9-15(21-19-20)8-10-1-3-11(15)4-2-10/h5-7,10-11,18-19H,1-4,8-9H2/t10?,11?,15-/m0/s1
InChIKeyCBICKVBOKYLSLM-NWHVRFAMSA-N
MW328.24 g/mol
LogP4.02
Rot. Bonds2

About (2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine

(2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine (PubChem CID 129056819) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is (2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine.

Molecular Properties

Compound Name(2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine
PubChem CID129056819
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name(2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine
SMILESClc1ccc(NN2C[C@]3(CC4CCC3CC4)ON2)cc1Cl
InChIInChI=1S/C15H19Cl2N3O/c16-13-6-5-12(7-14(13)17)18-20-9-15(21-19-20)8-10-1-3-11(15)4-2-10/h5-7,10-11,18-19H,1-4,8-9H2/t10?,11?,15-/m0/s1
InChIKeyCBICKVBOKYLSLM-NWHVRFAMSA-N
XLogP4.02
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine?
The IUPAC name of (2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine (CID 129056819) is (2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine.
What is the SMILES notation for (2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine?
The canonical SMILES for (2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine is Clc1ccc(NN2C[C@]3(CC4CCC3CC4)ON2)cc1Cl.
What is the InChIKey of (2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine?
The InChIKey is CBICKVBOKYLSLM-NWHVRFAMSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c16-13-6-5-12(7-14(13)17)18-20-9-15(21-19-20)8-10-1-3-11(15)4-2-10/h5-7,10-11,18-19H,1-4,8-9H2/t10?,11?,15-/m0/s1.
What are the key properties of (2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine?
(2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine has a molecular weight of 328.24 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dichlorophenyl)spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine is sourced from PubChem (CID 129056819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).