9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C18H25ClF2N2O — CID 120991618

IUPAC9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NCCc1cc(F)ccc1F)C2
InChIInChI=1S/C18H24F2N2O.ClH/c19-15-4-5-16(20)11(10-15)6-7-22-18(23)14-8-12-2-1-3-13(9-14)17(12)21;/h4-5,10,12-14,17H,1-3,6-9,21H2,(H,22,23);1H
InChIKeyUQVVYJWHDPCUJG-UHFFFAOYSA-N
MW358.86 g/mol
LogP3.20
Rot. Bonds4

About 9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120991618) has the molecular formula C18H25ClF2N2O and a molecular weight of 358.86 g/mol. Its IUPAC name is 9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120991618
Molecular FormulaC18H25ClF2N2O
Molecular Weight358.86 g/mol
Exact Mass358.16
IUPAC Name9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NCCc1cc(F)ccc1F)C2
InChIInChI=1S/C18H24F2N2O.ClH/c19-15-4-5-16(20)11(10-15)6-7-22-18(23)14-8-12-2-1-3-13(9-14)17(12)21;/h4-5,10,12-14,17H,1-3,6-9,21H2,(H,22,23);1H
InChIKeyUQVVYJWHDPCUJG-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.86
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989710
9-amino-N-[2-(2,6-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986567
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
9-amino-N-[2-(3,5-dichlorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987724
N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 115159581
9-amino-N-[2-(3-fluorophenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985844
9-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984011
3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161514
9-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988860
9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990611
9-amino-N-[2-(3-carbamoylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988653
9-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983638

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120991618) is 9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)NCCc1cc(F)ccc1F)C2.
What is the InChIKey of 9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is UQVVYJWHDPCUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O.ClH/c19-15-4-5-16(20)11(10-15)6-7-22-18(23)14-8-12-2-1-3-13(9-14)17(12)21;/h4-5,10,12-14,17H,1-3,6-9,21H2,(H,22,23);1H.
What are the key properties of 9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 358.86 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120991618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).