3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C18H26ClFN2O2 — CID 119813326

IUPAC3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCC(CNC(=O)C1C2CCC(C2)C1N)Oc1ccccc1F.Cl
InChIInChI=1S/C18H25FN2O2.ClH/c1-2-13(23-15-6-4-3-5-14(15)19)10-21-18(22)16-11-7-8-12(9-11)17(16)20;/h3-6,11-13,16-17H,2,7-10,20H2,1H3,(H,21,22);1H
InChIKeyHWFYZVIIXNJNJY-UHFFFAOYSA-N
MW356.87 g/mol
LogP2.89
Rot. Bonds6

About 3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119813326) has the molecular formula C18H26ClFN2O2 and a molecular weight of 356.87 g/mol. Its IUPAC name is 3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119813326
Molecular FormulaC18H26ClFN2O2
Molecular Weight356.87 g/mol
Exact Mass356.17
IUPAC Name3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCC(CNC(=O)C1C2CCC(C2)C1N)Oc1ccccc1F.Cl
InChIInChI=1S/C18H25FN2O2.ClH/c1-2-13(23-15-6-4-3-5-14(15)19)10-21-18(22)16-11-7-8-12(9-11)17(16)20;/h3-6,11-13,16-17H,2,7-10,20H2,1H3,(H,21,22);1H
InChIKeyHWFYZVIIXNJNJY-UHFFFAOYSA-N
XLogP2.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.87
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119819932
3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride
CID 119813328
N-[2-(2-fluorophenoxy)butyl]oxolane-2-carboxamide
CID 71863283
2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187038
3-amino-N-[2-(2-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119804798
2-amino-N-[2-(2-fluorophenoxy)butyl]acetamide;hydrochloride
CID 119340592
(3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide
CID 95972631
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700360
9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991075
(3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972675
3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119725350

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119813326) is 3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CCC(CNC(=O)C1C2CCC(C2)C1N)Oc1ccccc1F.Cl.
What is the InChIKey of 3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is HWFYZVIIXNJNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2.ClH/c1-2-13(23-15-6-4-3-5-14(15)19)10-21-18(22)16-11-7-8-12(9-11)17(16)20;/h3-6,11-13,16-17H,2,7-10,20H2,1H3,(H,21,22);1H.
What are the key properties of 3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 356.87 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119813326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).