4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide

C15H13F2NO3 — CID 47056492

IUPAC4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1F)NCc1ccoc1
InChIInChI=1S/C15H13F2NO3/c16-11-1-2-12(13(17)7-11)14(19)3-4-15(20)18-8-10-5-6-21-9-10/h1-2,5-7,9H,3-4,8H2,(H,18,20)
InChIKeyNWPOSVBUPBDYCV-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.84
Rot. Bonds6

About 4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide

4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide (PubChem CID 47056492) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide
PubChem CID47056492
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1F)NCc1ccoc1
InChIInChI=1S/C15H13F2NO3/c16-11-1-2-12(13(17)7-11)14(19)3-4-15(20)18-8-10-5-6-21-9-10/h1-2,5-7,9H,3-4,8H2,(H,18,20)
InChIKeyNWPOSVBUPBDYCV-UHFFFAOYSA-N
XLogP2.84
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(furan-3-ylmethyl)acetamide
CID 47285310
4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119433396
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(furan-3-ylmethyl)propanamide
CID 166184600
1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone
CID 83173098
1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone
CID 83171971
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 46424834
N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 119524438
1-(2,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726641
2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
CID 51192536
N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide
CID 119478251
4-(2,4-difluorophenyl)-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 120812974

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide (CID 47056492) is 4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1F)NCc1ccoc1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide?
The InChIKey is NWPOSVBUPBDYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c16-11-1-2-12(13(17)7-11)14(19)3-4-15(20)18-8-10-5-6-21-9-10/h1-2,5-7,9H,3-4,8H2,(H,18,20).
What are the key properties of 4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide?
4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide has a molecular weight of 293.27 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-(furan-3-ylmethyl)-4-oxobutanamide is sourced from PubChem (CID 47056492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).