4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide

C16H18FNO2 — CID 115745188

IUPAC4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NC(C)CCc1ccco1
InChIInChI=1S/C16H18FNO2/c1-11-10-13(17)6-8-15(11)16(19)18-12(2)5-7-14-4-3-9-20-14/h3-4,6,8-10,12H,5,7H2,1-2H3,(H,18,19)
InChIKeyFRJRZIWCJXFQMZ-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.48
Rot. Bonds5

About 4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide

4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide (PubChem CID 115745188) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide
PubChem CID115745188
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NC(C)CCc1ccco1
InChIInChI=1S/C16H18FNO2/c1-11-10-13(17)6-8-15(11)16(19)18-12(2)5-7-14-4-3-9-20-14/h3-4,6,8-10,12H,5,7H2,1-2H3,(H,18,19)
InChIKeyFRJRZIWCJXFQMZ-UHFFFAOYSA-N
XLogP3.48
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide
CID 79769993
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-methyl-5-methylsulfonylbenzamide
CID 39948595
N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide
CID 18162458
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea
CID 1460428
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
6-(furan-2-yl)-N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 56821017
4-fluoro-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 112702369
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
2-chloro-4-fluoro-N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811663

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide?
The IUPAC name of 4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide (CID 115745188) is 4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide is Cc1cc(F)ccc1C(=O)NC(C)CCc1ccco1.
What is the InChIKey of 4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide?
The InChIKey is FRJRZIWCJXFQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11-10-13(17)6-8-15(11)16(19)18-12(2)5-7-14-4-3-9-20-14/h3-4,6,8-10,12H,5,7H2,1-2H3,(H,18,19).
What are the key properties of 4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide?
4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide has a molecular weight of 275.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 115745188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).