9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C18H26ClFN2O — CID 120983691

IUPAC9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(Cc1cccc(F)c1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-21(11-12-4-2-7-16(19)8-12)18(22)15-9-13-5-3-6-14(10-15)17(13)20;/h2,4,7-8,13-15,17H,3,5-6,9-11,20H2,1H3;1H
InChIKeyRAVAIHLCFVAFAL-UHFFFAOYSA-N
MW340.87 g/mol
LogP3.36
Rot. Bonds3

About 9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120983691) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is 9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120983691
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC Name9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(Cc1cccc(F)c1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-21(11-12-4-2-7-16(19)8-12)18(22)15-9-13-5-3-6-14(10-15)17(13)20;/h2,4,7-8,13-15,17H,3,5-6,9-11,20H2,1H3;1H
InChIKeyRAVAIHLCFVAFAL-UHFFFAOYSA-N
XLogP3.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120985389
9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992602
9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983505
9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983469
9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983706
9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985296
9-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983816
9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985408
9-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985748
9-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984064
9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983152
3-amino-N-methyl-N-[(3-methylsulfanylphenyl)methyl]cyclohexane-1-carboxamide
CID 156608399

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120983691) is 9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CN(Cc1cccc(F)c1)C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is RAVAIHLCFVAFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O.ClH/c1-21(11-12-4-2-7-16(19)8-12)18(22)15-9-13-5-3-6-14(10-15)17(13)20;/h2,4,7-8,13-15,17H,3,5-6,9-11,20H2,1H3;1H.
What are the key properties of 9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 340.87 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120983691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).