9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C18H25Cl3N2O — CID 120983505

IUPAC9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C18H24Cl2N2O.ClH/c1-22(10-11-5-6-15(19)16(20)7-11)18(23)14-8-12-3-2-4-13(9-14)17(12)21;/h5-7,12-14,17H,2-4,8-10,21H2,1H3;1H
InChIKeyKSDHLTKNVZJNLU-UHFFFAOYSA-N
MW391.77 g/mol
LogP4.53
Rot. Bonds3

About 9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120983505) has the molecular formula C18H25Cl3N2O and a molecular weight of 391.77 g/mol. Its IUPAC name is 9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120983505
Molecular FormulaC18H25Cl3N2O
Molecular Weight391.77 g/mol
Exact Mass390.10
IUPAC Name9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C18H24Cl2N2O.ClH/c1-22(10-11-5-6-15(19)16(20)7-11)18(23)14-8-12-3-2-4-13(9-14)17(12)21;/h5-7,12-14,17H,2-4,8-10,21H2,1H3;1H
InChIKeyKSDHLTKNVZJNLU-UHFFFAOYSA-N
XLogP4.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.77
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983706
9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983691
9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120985389
9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983474
9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983469
4-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512383
9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992602
9-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983816
2-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976691
9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985296
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119908936

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120983505) is 9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is KSDHLTKNVZJNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O.ClH/c1-22(10-11-5-6-15(19)16(20)7-11)18(23)14-8-12-3-2-4-13(9-14)17(12)21;/h5-7,12-14,17H,2-4,8-10,21H2,1H3;1H.
What are the key properties of 9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 391.77 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120983505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).