N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride

C17H24Cl2N2O2 — CID 119455408

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C17H23ClN2O2.ClH/c1-10(2)22-16-6-3-11(18)7-15(16)17(21)20-14-8-12-4-5-13(9-14)19-12;/h3,6-7,10,12-14,19H,4-5,8-9H2,1-2H3,(H,20,21);1H
InChIKeyUDLPYNMWZUEGNE-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.56
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride (PubChem CID 119455408) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride
PubChem CID119455408
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C17H23ClN2O2.ClH/c1-10(2)22-16-6-3-11(18)7-15(16)17(21)20-14-8-12-4-5-13(9-14)19-12;/h3,6-7,10,12-14,19H,4-5,8-9H2,1-2H3,(H,20,21);1H
InChIKeyUDLPYNMWZUEGNE-UHFFFAOYSA-N
XLogP3.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride with MolForge

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Related Compounds

5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide
CID 119449786
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide
CID 119459098
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide
CID 119457942
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
CID 119457267
5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386862
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenoxy)propanamide
CID 62229825
5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride
CID 119458491
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
CID 103805907
5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride
CID 119429780
5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide
CID 111744162

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride (CID 119455408) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride is CC(C)Oc1ccc(Cl)cc1C(=O)NC1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride?
The InChIKey is UDLPYNMWZUEGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2.ClH/c1-10(2)22-16-6-3-11(18)7-15(16)17(21)20-14-8-12-4-5-13(9-14)19-12;/h3,6-7,10,12-14,19H,4-5,8-9H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride has a molecular weight of 359.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride is sourced from PubChem (CID 119455408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).