N-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide

C17H20FNO2 — CID 22587424

IUPACN-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
SMILESCCCCNC(=O)CCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H20FNO2/c1-2-3-12-19-17(20)11-9-15-8-10-16(21-15)13-4-6-14(18)7-5-13/h4-8,10H,2-3,9,11-12H2,1H3,(H,19,20)
InChIKeyBZLAKYYIIJPDCU-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.93
Rot. Bonds7

About N-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide

N-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide (PubChem CID 22587424) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
PubChem CID22587424
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
SMILESCCCCNC(=O)CCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H20FNO2/c1-2-3-12-19-17(20)11-9-15-8-10-16(21-15)13-4-6-14(18)7-5-13/h4-8,10H,2-3,9,11-12H2,1H3,(H,19,20)
InChIKeyBZLAKYYIIJPDCU-UHFFFAOYSA-N
XLogP3.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methyl-2-furyl)-N-(2-phenylethyl)acrylamide
CID 874587
N-Benzyl-3-(5-methyl-furan-2-yl)-propionamide
CID 827173
3-Furan-2-yl-N-[2-(4-methoxy-phenyl)-ethyl]-acrylamide
CID 963760
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2324886
N-(1-Benzyl-propyl)-3-furan-2-yl-acrylamide
CID 5762726
(E)-N-(4-fluorophenethyl)-3-(furan-2-yl)acrylamide
CID 7700192
3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide
CID 661862
N-[2-(2-Benzyl-benzofuran-3-yl)-ethyl]-acetamide
CID 11098363
3-[5-[(4-Fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1,2-dihydropyrrol-5-one
CID 44424163
2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide
CID 2732049
N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
CID 665041
N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 2946691

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide?
The IUPAC name of N-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide (CID 22587424) is N-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide?
The canonical SMILES for N-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide is CCCCNC(=O)CCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide?
The InChIKey is BZLAKYYIIJPDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-2-3-12-19-17(20)11-9-15-8-10-16(21-15)13-4-6-14(18)7-5-13/h4-8,10H,2-3,9,11-12H2,1H3,(H,19,20).
What are the key properties of N-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide?
N-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide has a molecular weight of 289.35 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[5-(4-fluorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 22587424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).