N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride

C13H20ClFN2O2 — CID 119409107

IUPACN-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
SMILESCCC(Oc1ccccc1F)C(=O)NCCCN.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-2-11(13(17)16-9-5-8-15)18-12-7-4-3-6-10(12)14;/h3-4,6-7,11H,2,5,8-9,15H2,1H3,(H,16,17);1H
InChIKeyHWFSIVUOTYRFFI-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.87
Rot. Bonds7

About N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride

N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride (PubChem CID 119409107) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
PubChem CID119409107
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC NameN-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
SMILESCCC(Oc1ccccc1F)C(=O)NCCCN.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-2-11(13(17)16-9-5-8-15)18-12-7-4-3-6-10(12)14;/h3-4,6-7,11H,2,5,8-9,15H2,1H3,(H,16,17);1H
InChIKeyHWFSIVUOTYRFFI-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
N-(2-amino-2-ethylbutyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119644039
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
CID 53286413
(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
CID 40747122
N-(1-aminohexan-2-yl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119668887
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 99818320
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211113
N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide
CID 133211115

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride (CID 119409107) is N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride is CCC(Oc1ccccc1F)C(=O)NCCCN.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride?
The InChIKey is HWFSIVUOTYRFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c1-2-11(13(17)16-9-5-8-15)18-12-7-4-3-6-10(12)14;/h3-4,6-7,11H,2,5,8-9,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride?
N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119409107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).