(3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate

C14H15Cl2NO2 — CID 146461997

IUPAC(3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(Oc1cc(Cl)cc(Cl)c1)N1C2CCCC1CC2
InChIInChI=1S/C14H15Cl2NO2/c15-9-6-10(16)8-13(7-9)19-14(18)17-11-2-1-3-12(17)5-4-11/h6-8,11-12H,1-5H2
InChIKeyGIESZQYHPADVNQ-UHFFFAOYSA-N
MW300.19 g/mol
LogP4.51
Rot. Bonds1

About (3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate

(3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 146461997) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is (3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name(3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID146461997
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name(3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(Oc1cc(Cl)cc(Cl)c1)N1C2CCCC1CC2
InChIInChI=1S/C14H15Cl2NO2/c15-9-6-10(16)8-13(7-9)19-14(18)17-11-2-1-3-12(17)5-4-11/h6-8,11-12H,1-5H2
InChIKeyGIESZQYHPADVNQ-UHFFFAOYSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate 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 (3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of (3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate (CID 146461997) is (3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for (3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for (3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(Oc1cc(Cl)cc(Cl)c1)N1C2CCCC1CC2.
What is the InChIKey of (3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is GIESZQYHPADVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c15-9-6-10(16)8-13(7-9)19-14(18)17-11-2-1-3-12(17)5-4-11/h6-8,11-12H,1-5H2.
What are the key properties of (3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate?
(3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 300.19 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl) 8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 146461997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).