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

C16H18FNO2 — CID 79769993

IUPAC2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)CCc2ccco2)c(F)c1
InChIInChI=1S/C16H18FNO2/c1-11-5-8-14(15(17)10-11)16(19)18-12(2)6-7-13-4-3-9-20-13/h3-5,8-10,12H,6-7H2,1-2H3,(H,18,19)
InChIKeyFKOWOQMAQUHMPT-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.48
Rot. Bonds5

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

2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide (PubChem CID 79769993) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide
PubChem CID79769993
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)CCc2ccco2)c(F)c1
InChIInChI=1S/C16H18FNO2/c1-11-5-8-14(15(17)10-11)16(19)18-12(2)6-7-13-4-3-9-20-13/h3-5,8-10,12H,6-7H2,1-2H3,(H,18,19)
InChIKeyFKOWOQMAQUHMPT-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

4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide
CID 115745188
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
2-[4-(furan-2-yl)butan-2-ylamino]-5-methylbenzoic acid
CID 62516226
N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide
CID 18162458
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
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-methyl-5-methylsulfonylbenzamide
CID 39948595
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 7354302
N-[(2S)-4-(furan-2-yl)butan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51853074
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide?
The IUPAC name of 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide (CID 79769993) is 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C)CCc2ccco2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide?
The InChIKey is FKOWOQMAQUHMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11-5-8-14(15(17)10-11)16(19)18-12(2)6-7-13-4-3-9-20-13/h3-5,8-10,12H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide?
2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-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 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 79769993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).