3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide

C20H24Cl2N2O3 — CID 178146426

IUPAC3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide
SMILESO=C(NC1CC2CCC(C1)N2C(=O)CC1CCC1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C20H24Cl2N2O3/c21-12-7-16(19(26)17(22)8-12)20(27)23-13-9-14-4-5-15(10-13)24(14)18(25)6-11-2-1-3-11/h7-8,11,13-15,26H,1-6,9-10H2,(H,23,27)
InChIKeyGETGQYLXHWNPOA-UHFFFAOYSA-N
MW411.33 g/mol
LogP4.14
Rot. Bonds4

About 3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide

3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide (PubChem CID 178146426) has the molecular formula C20H24Cl2N2O3 and a molecular weight of 411.33 g/mol. Its IUPAC name is 3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide
PubChem CID178146426
Molecular FormulaC20H24Cl2N2O3
Molecular Weight411.33 g/mol
Exact Mass410.12
IUPAC Name3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide
SMILESO=C(NC1CC2CCC(C1)N2C(=O)CC1CCC1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C20H24Cl2N2O3/c21-12-7-16(19(26)17(22)8-12)20(27)23-13-9-14-4-5-15(10-13)24(14)18(25)6-11-2-1-3-11/h7-8,11,13-15,26H,1-6,9-10H2,(H,23,27)
InChIKeyGETGQYLXHWNPOA-UHFFFAOYSA-N
XLogP4.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide 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-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide?
The IUPAC name of 3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide (CID 178146426) is 3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide is O=C(NC1CC2CCC(C1)N2C(=O)CC1CCC1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide?
The InChIKey is GETGQYLXHWNPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3/c21-12-7-16(19(26)17(22)8-12)20(27)23-13-9-14-4-5-15(10-13)24(14)18(25)6-11-2-1-3-11/h7-8,11,13-15,26H,1-6,9-10H2,(H,23,27).
What are the key properties of 3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide?
3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide has a molecular weight of 411.33 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide is sourced from PubChem (CID 178146426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).