3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride

C17H22ClFN2O2 — CID 120827866

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)CCc1ccc(-c2ccccc2F)o1.Cl
InChIInChI=1S/C17H21FN2O2.ClH/c1-12(19-2)11-20-17(21)10-8-13-7-9-16(22-13)14-5-3-4-6-15(14)18;/h3-7,9,12,19H,8,10-11H2,1-2H3,(H,20,21);1H
InChIKeyAPZHNSFOWMKOER-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.16
Rot. Bonds7

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride

3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride (PubChem CID 120827866) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride
PubChem CID120827866
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)CCc1ccc(-c2ccccc2F)o1.Cl
InChIInChI=1S/C17H21FN2O2.ClH/c1-12(19-2)11-20-17(21)10-8-13-7-9-16(22-13)14-5-3-4-6-15(14)18;/h3-7,9,12,19H,8,10-11H2,1-2H3,(H,20,21);1H
InChIKeyAPZHNSFOWMKOER-UHFFFAOYSA-N
XLogP3.16
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119496957
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride
CID 119607048
2-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethylsulfanyl]acetic acid
CID 119242104
N-[(4-fluoro-3-methylphenyl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 16580078
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide
CID 46554729
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 18163857
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-phenoxyethyl)propanamide
CID 32934045
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide
CID 24683496
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 134041285

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride (CID 120827866) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride is CNC(C)CNC(=O)CCc1ccc(-c2ccccc2F)o1.Cl.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The InChIKey is APZHNSFOWMKOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2.ClH/c1-12(19-2)11-20-17(21)10-8-13-7-9-16(22-13)14-5-3-4-6-15(14)18;/h3-7,9,12,19H,8,10-11H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride?
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride has a molecular weight of 340.83 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120827866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).