3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide

C15H15F2NO2 — CID 18162420

IUPAC3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCC(CCc1ccco1)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2NO2/c1-10(4-5-14-3-2-6-20-14)18-15(19)11-7-12(16)9-13(17)8-11/h2-3,6-10H,4-5H2,1H3,(H,18,19)
InChIKeyLRILIYJXWCRNLQ-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.31
Rot. Bonds5

About 3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide

3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide (PubChem CID 18162420) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
PubChem CID18162420
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCC(CCc1ccco1)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2NO2/c1-10(4-5-14-3-2-6-20-14)18-15(19)11-7-12(16)9-13(17)8-11/h2-3,6-10H,4-5H2,1H3,(H,18,19)
InChIKeyLRILIYJXWCRNLQ-UHFFFAOYSA-N
XLogP3.31
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide
CID 115745188
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763430
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
CID 18194695
2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide
CID 79769993
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 9141737
N-[4-(furan-2-yl)butan-2-yl]-3-methylsulfonylbenzamide
CID 18162440
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The IUPAC name of 3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide (CID 18162420) is 3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide is CC(CCc1ccco1)NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The InChIKey is LRILIYJXWCRNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-10(4-5-14-3-2-6-20-14)18-15(19)11-7-12(16)9-13(17)8-11/h2-3,6-10H,4-5H2,1H3,(H,18,19).
What are the key properties of 3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide?
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide has a molecular weight of 279.29 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 18162420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).