2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide

C17H15FN2O4 — CID 113170871

IUPAC2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F
InChIInChI=1S/C17H15FN2O4/c1-11(21)20(14-5-3-2-4-13(14)18)9-17(22)19-12-6-7-15-16(8-12)24-10-23-15/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyGZLCTHHXMPRQAZ-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.55
Rot. Bonds4

About 2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide

2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 113170871) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is 2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID113170871
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F
InChIInChI=1S/C17H15FN2O4/c1-11(21)20(14-5-3-2-4-13(14)18)9-17(22)19-12-6-7-15-16(8-12)24-10-23-15/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyGZLCTHHXMPRQAZ-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113173267
N-(1,3-benzodioxol-5-yl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909035
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 4818793
2-(N-acetyl-2-fluoroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 113170882
2-(N-acetyl-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 113170796
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113169203
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113174167
2-(N-acetyl-2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113170844
2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113169371
N-(1,3-benzodioxol-5-yl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30264821
N-(1,3-benzodioxol-5-yl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956702

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide (CID 113170871) is 2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide is CC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F.
What is the InChIKey of 2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is GZLCTHHXMPRQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-11(21)20(14-5-3-2-4-13(14)18)9-17(22)19-12-6-7-15-16(8-12)24-10-23-15/h2-8H,9-10H2,1H3,(H,19,22).
What are the key properties of 2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 330.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 113170871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).