3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide

C25H26FN3O4 — CID 55526476

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc(NC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C25H26FN3O4/c26-22-6-2-1-5-21(22)23-13-11-19(33-23)12-14-24(30)28-17-7-9-18(10-8-17)29-25(31)27-16-20-4-3-15-32-20/h1-2,5-11,13,20H,3-4,12,14-16H2,(H,28,30)(H2,27,29,31)
InChIKeyZCNUDURVTTVFKV-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.96
Rot. Bonds8

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide

3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide (PubChem CID 55526476) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide
PubChem CID55526476
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc(NC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C25H26FN3O4/c26-22-6-2-1-5-21(22)23-13-11-19(33-23)12-14-24(30)28-17-7-9-18(10-8-17)29-25(31)27-16-20-4-3-15-32-20/h1-2,5-11,13,20H,3-4,12,14-16H2,(H,28,30)(H2,27,29,31)
InChIKeyZCNUDURVTTVFKV-UHFFFAOYSA-N
XLogP4.96
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
CID 17430904
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide
CID 55527219
N-cyclohexyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9243405
3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 24505736
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55651787
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47223543
N-(2-amino-2-oxoethyl)-3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
CID 46442616
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide
CID 18093403

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide (CID 55526476) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide is O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc(NC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide?
The InChIKey is ZCNUDURVTTVFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c26-22-6-2-1-5-21(22)23-13-11-19(33-23)12-14-24(30)28-17-7-9-18(10-8-17)29-25(31)27-16-20-4-3-15-32-20/h1-2,5-11,13,20H,3-4,12,14-16H2,(H,28,30)(H2,27,29,31).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide has a molecular weight of 451.50 g/mol, XLogP of 4.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 55526476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).