N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride

C13H20ClFN2O2 — CID 119408050

IUPACN-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
SMILESCl.NCCCNC(=O)CCCOc1cccc(F)c1
InChIInChI=1S/C13H19FN2O2.ClH/c14-11-4-1-5-12(10-11)18-9-2-6-13(17)16-8-3-7-15;/h1,4-5,10H,2-3,6-9,15H2,(H,16,17);1H
InChIKeyXGNJETDQUOKMBR-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.87
Rot. Bonds8

About N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride

N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride (PubChem CID 119408050) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
PubChem CID119408050
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC NameN-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
SMILESCl.NCCCNC(=O)CCCOc1cccc(F)c1
InChIInChI=1S/C13H19FN2O2.ClH/c14-11-4-1-5-12(10-11)18-9-2-6-13(17)16-8-3-7-15;/h1,4-5,10H,2-3,6-9,15H2,(H,16,17);1H
InChIKeyXGNJETDQUOKMBR-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

4-amino-N-[2-(3-bromophenoxy)ethyl]butanamide;hydrochloride
CID 119301997
N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 120506795
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708
N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide
CID 119642968
4-amino-N-[2-(3,4-difluorophenoxy)ethyl]butanamide;hydrochloride
CID 119320552
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide
CID 52715106
benzyl 2-[4-(3-fluorophenoxy)butanoylamino]acetate
CID 52715067
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119616654
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
3-[4-(3-fluorophenoxy)butanoylamino]-2-phenylpropanoic acid
CID 119254459

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride (CID 119408050) is N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride is Cl.NCCCNC(=O)CCCOc1cccc(F)c1.
What is the InChIKey of N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride?
The InChIKey is XGNJETDQUOKMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c14-11-4-1-5-12(10-11)18-9-2-6-13(17)16-8-3-7-15;/h1,4-5,10H,2-3,6-9,15H2,(H,16,17);1H.
What are the key properties of N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride?
N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119408050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).