N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide

C17H21FN2O2 — CID 119496957

IUPACN-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESCC(N)CCNC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H21FN2O2/c1-12(19)10-11-20-17(21)9-7-13-6-8-16(22-13)14-4-2-3-5-15(14)18/h2-6,8,12H,7,9-11,19H2,1H3,(H,20,21)
InChIKeyRCPWAQYEQCEUFJ-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.87
Rot. Bonds7

About N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide

N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (PubChem CID 119496957) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
PubChem CID119496957
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC NameN-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESCC(N)CCNC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H21FN2O2/c1-12(19)10-11-20-17(21)9-7-13-6-8-16(22-13)14-4-2-3-5-15(14)18/h2-6,8,12H,7,9-11,19H2,1H3,(H,20,21)
InChIKeyRCPWAQYEQCEUFJ-UHFFFAOYSA-N
XLogP2.87
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120827866
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-phenoxyethyl)propanamide
CID 32934045
2-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethylsulfanyl]acetic acid
CID 119242104
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
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride
CID 119607048
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 55693711
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9404529
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 51941799
N-[(4-fluoro-3-methylphenyl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 16580078

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The IUPAC name of N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (CID 119496957) is N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The canonical SMILES for N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is CC(N)CCNC(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The InChIKey is RCPWAQYEQCEUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-12(19)10-11-20-17(21)9-7-13-6-8-16(22-13)14-4-2-3-5-15(14)18/h2-6,8,12H,7,9-11,19H2,1H3,(H,20,21).
What are the key properties of N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide has a molecular weight of 304.36 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 119496957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).