9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C18H25Cl2FN2O — CID 120983469

IUPAC9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C18H24ClFN2O.ClH/c1-22(10-14-15(19)6-3-7-16(14)20)18(23)13-8-11-4-2-5-12(9-13)17(11)21;/h3,6-7,11-13,17H,2,4-5,8-10,21H2,1H3;1H
InChIKeyZOOLIKCLESLJRE-UHFFFAOYSA-N
MW375.32 g/mol
LogP4.01
Rot. Bonds3

About 9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120983469) has the molecular formula C18H25Cl2FN2O and a molecular weight of 375.32 g/mol. Its IUPAC name is 9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120983469
Molecular FormulaC18H25Cl2FN2O
Molecular Weight375.32 g/mol
Exact Mass374.13
IUPAC Name9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C18H24ClFN2O.ClH/c1-22(10-14-15(19)6-3-7-16(14)20)18(23)13-8-11-4-2-5-12(9-13)17(11)21;/h3,6-7,11-13,17H,2,4-5,8-10,21H2,1H3;1H
InChIKeyZOOLIKCLESLJRE-UHFFFAOYSA-N
XLogP4.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682870
(1'R,5'R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
CID 50986064
9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983691
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119267724
9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983505
2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974416
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119682901
(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267731
(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61165389
9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985296
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367483
9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120985389

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120983469) is 9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CN(Cc1c(F)cccc1Cl)C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is ZOOLIKCLESLJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2O.ClH/c1-22(10-14-15(19)6-3-7-16(14)20)18(23)13-8-11-4-2-5-12(9-13)17(11)21;/h3,6-7,11-13,17H,2,4-5,8-10,21H2,1H3;1H.
What are the key properties of 9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 375.32 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120983469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).