3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide

C17H18FNO3 — CID 9455254

IUPAC3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
SMILESCC(=O)c1cc(CCC(=O)Nc2cc(C)ccc2F)oc1C
InChIInChI=1S/C17H18FNO3/c1-10-4-6-15(18)16(8-10)19-17(21)7-5-13-9-14(11(2)20)12(3)22-13/h4,6,8-9H,5,7H2,1-3H3,(H,19,21)
InChIKeyQLBBZAOITRTGDD-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.81
Rot. Bonds5

About 3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide

3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide (PubChem CID 9455254) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
PubChem CID9455254
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
SMILESCC(=O)c1cc(CCC(=O)Nc2cc(C)ccc2F)oc1C
InChIInChI=1S/C17H18FNO3/c1-10-4-6-15(18)16(8-10)19-17(21)7-5-13-9-14(11(2)20)12(3)22-13/h4,6,8-9H,5,7H2,1-3H3,(H,19,21)
InChIKeyQLBBZAOITRTGDD-UHFFFAOYSA-N
XLogP3.81
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dichlorophenyl)propanamide
CID 24505751
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24506115
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate
CID 42920881
4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
CID 78769431
3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 41486884
3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 42990299
3-(4-acetyl-5-methylfuran-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 40715870
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
3-(4-acetyl-5-methylfuran-2-yl)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 24505878
N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 17449540

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide?
The IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide (CID 9455254) is 3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide?
The canonical SMILES for 3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide is CC(=O)c1cc(CCC(=O)Nc2cc(C)ccc2F)oc1C.
What is the InChIKey of 3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide?
The InChIKey is QLBBZAOITRTGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-10-4-6-15(18)16(8-10)19-17(21)7-5-13-9-14(11(2)20)12(3)22-13/h4,6,8-9H,5,7H2,1-3H3,(H,19,21).
What are the key properties of 3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide?
3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide has a molecular weight of 303.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide is sourced from PubChem (CID 9455254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).