9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H28ClFN2O2 — CID 120991075

IUPAC9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CC2CCCC(C1)C2N)Oc1ccccc1F.Cl
InChIInChI=1S/C19H27FN2O2.ClH/c1-12(24-17-8-3-2-7-16(17)20)11-22-19(23)15-9-13-5-4-6-14(10-15)18(13)21;/h2-3,7-8,12-15,18H,4-6,9-11,21H2,1H3,(H,22,23);1H
InChIKeyYRAZTZWUCSEITO-UHFFFAOYSA-N
MW370.90 g/mol
LogP3.28
Rot. Bonds5

About 9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120991075) has the molecular formula C19H28ClFN2O2 and a molecular weight of 370.90 g/mol. Its IUPAC name is 9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120991075
Molecular FormulaC19H28ClFN2O2
Molecular Weight370.90 g/mol
Exact Mass370.18
IUPAC Name9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CC2CCCC(C1)C2N)Oc1ccccc1F.Cl
InChIInChI=1S/C19H27FN2O2.ClH/c1-12(24-17-8-3-2-7-16(17)20)11-22-19(23)15-9-13-5-4-6-14(10-15)18(13)21;/h2-3,7-8,12-15,18H,4-6,9-11,21H2,1H3,(H,22,23);1H
InChIKeyYRAZTZWUCSEITO-UHFFFAOYSA-N
XLogP3.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991264
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CID 119335715
3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride
CID 119813328
9-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990957
3-amino-N-[2-(2-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119804798
9-amino-N-[2-(2,6-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986567
3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119813326
3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804683
9-amino-N-[1-(2-ethoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985375
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide
CID 75423099
3-amino-N-[2-(2-chlorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119725465
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120991075) is 9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CC(CNC(=O)C1CC2CCCC(C1)C2N)Oc1ccccc1F.Cl.
What is the InChIKey of 9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is YRAZTZWUCSEITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2.ClH/c1-12(24-17-8-3-2-7-16(17)20)11-22-19(23)15-9-13-5-4-6-14(10-15)18(13)21;/h2-3,7-8,12-15,18H,4-6,9-11,21H2,1H3,(H,22,23);1H.
What are the key properties of 9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 370.90 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120991075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).