4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide

C20H17FN2O3 — CID 17430904

IUPAC4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C20H17FN2O3/c21-17-4-2-1-3-16(17)18-11-9-15(26-18)10-12-19(24)23-14-7-5-13(6-8-14)20(22)25/h1-9,11H,10,12H2,(H2,22,25)(H,23,24)
InChIKeyJRFKVESGERDVMZ-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.76
Rot. Bonds6

About 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide

4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide (PubChem CID 17430904) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
PubChem CID17430904
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C20H17FN2O3/c21-17-4-2-1-3-16(17)18-11-9-15(26-18)10-12-19(24)23-14-7-5-13(6-8-14)20(22)25/h1-9,11H,10,12H2,(H2,22,25)(H,23,24)
InChIKeyJRFKVESGERDVMZ-UHFFFAOYSA-N
XLogP3.76
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
CID 46442616
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide
CID 18093403
3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 24505736
3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide
CID 55526476
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 34184494
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 51241340
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119496957
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide
CID 46554729
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55767382

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide?
The IUPAC name of 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide (CID 17430904) is 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)cc1.
What is the InChIKey of 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide?
The InChIKey is JRFKVESGERDVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-17-4-2-1-3-16(17)18-11-9-15(26-18)10-12-19(24)23-14-7-5-13(6-8-14)20(22)25/h1-9,11H,10,12H2,(H2,22,25)(H,23,24).
What are the key properties of 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide?
4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide has a molecular weight of 352.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide is sourced from PubChem (CID 17430904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).