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

C16H18FNO2 — CID 22587420

IUPAC3-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H18FNO2/c1-2-11-18-16(19)10-8-14-7-9-15(20-14)12-3-5-13(17)6-4-12/h3-7,9H,2,8,10-11H2,1H3,(H,18,19)
InChIKeyZMRBJSXZKZFRQR-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.54
Rot. Bonds6

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

3-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropanamide (PubChem CID 22587420) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropanamide
PubChem CID22587420
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H18FNO2/c1-2-11-18-16(19)10-8-14-7-9-15(20-14)12-3-5-13(17)6-4-12/h3-7,9H,2,8,10-11H2,1H3,(H,18,19)
InChIKeyZMRBJSXZKZFRQR-UHFFFAOYSA-N
XLogP3.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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 3-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropanamide (CID 22587420) is 3-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropanamide is CCCNC(=O)CCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 3-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropanamide?
The InChIKey is ZMRBJSXZKZFRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-2-11-18-16(19)10-8-14-7-9-15(20-14)12-3-5-13(17)6-4-12/h3-7,9H,2,8,10-11H2,1H3,(H,18,19).
What are the key properties of 3-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropanamide?
3-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropanamide has a molecular weight of 275.32 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropanamide is sourced from PubChem (CID 22587420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).