3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride

C17H26ClFN2O2 — CID 119813328

IUPAC3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCC(CNC(=O)C1CCCC(N)C1)Oc1ccccc1F.Cl
InChIInChI=1S/C17H25FN2O2.ClH/c1-2-14(22-16-9-4-3-8-15(16)18)11-20-17(21)12-6-5-7-13(19)10-12;/h3-4,8-9,12-14H,2,5-7,10-11,19H2,1H3,(H,20,21);1H
InChIKeyAZIAFWNGXDQBMJ-UHFFFAOYSA-N
MW344.86 g/mol
LogP3.04
Rot. Bonds6

About 3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119813328) has the molecular formula C17H26ClFN2O2 and a molecular weight of 344.86 g/mol. Its IUPAC name is 3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119813328
Molecular FormulaC17H26ClFN2O2
Molecular Weight344.86 g/mol
Exact Mass344.17
IUPAC Name3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCC(CNC(=O)C1CCCC(N)C1)Oc1ccccc1F.Cl
InChIInChI=1S/C17H25FN2O2.ClH/c1-2-14(22-16-9-4-3-8-15(16)18)11-20-17(21)12-6-5-7-13(19)10-12;/h3-4,8-9,12-14H,2,5-7,10-11,19H2,1H3,(H,20,21);1H
InChIKeyAZIAFWNGXDQBMJ-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride
CID 119819930
3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119813326
(3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide
CID 95972631
N-[2-(2-fluorophenoxy)butyl]oxolane-2-carboxamide
CID 71863283
2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187038
(3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972675
9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991075
2-amino-N-[2-(2-fluorophenoxy)butyl]acetamide;hydrochloride
CID 119340592
3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide
CID 119889376
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119813356

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride (CID 119813328) is 3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride is CCC(CNC(=O)C1CCCC(N)C1)Oc1ccccc1F.Cl.
What is the InChIKey of 3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is AZIAFWNGXDQBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2.ClH/c1-2-14(22-16-9-4-3-8-15(16)18)11-20-17(21)12-6-5-7-13(19)10-12;/h3-4,8-9,12-14H,2,5-7,10-11,19H2,1H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 344.86 g/mol, XLogP of 3.04, 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]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119813328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).