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

C17H20FNO2 — CID 110616052

IUPACN-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NCCCCc1ccccc1F
InChIInChI=1S/C17H20FNO2/c18-16-9-2-1-6-14(16)7-3-4-12-19-17(20)11-10-15-8-5-13-21-15/h1-2,5-6,8-9,13H,3-4,7,10-12H2,(H,19,20)
InChIKeyVFNVYWWGQYXFKJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.49
Rot. Bonds8

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

N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide (PubChem CID 110616052) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide
PubChem CID110616052
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NCCCCc1ccccc1F
InChIInChI=1S/C17H20FNO2/c18-16-9-2-1-6-14(16)7-3-4-12-19-17(20)11-10-15-8-5-13-21-15/h1-2,5-6,8-9,13H,3-4,7,10-12H2,(H,19,20)
InChIKeyVFNVYWWGQYXFKJ-UHFFFAOYSA-N
XLogP3.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.49
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

2-(2-fluorophenyl)-N-[3-(furan-2-yl)propyl]acetamide
CID 100637712
3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide
CID 25135773
3-(furan-2-yl)-N-(6-iodohexyl)propanamide
CID 107848207
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
2-[bis(furan-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8842242
N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide
CID 110609858
N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide
CID 55156972
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-3-(furan-2-yl)propanamide
CID 110312236
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
3-(furan-2-yl)-N-(2-phenoxyethyl)propanamide
CID 78771849
N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110408284

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide (CID 110616052) is N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)NCCCCc1ccccc1F.
What is the InChIKey of N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide?
The InChIKey is VFNVYWWGQYXFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c18-16-9-2-1-6-14(16)7-3-4-12-19-17(20)11-10-15-8-5-13-21-15/h1-2,5-6,8-9,13H,3-4,7,10-12H2,(H,19,20).
What are the key properties of N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide?
N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide has a molecular weight of 289.35 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 110616052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).