N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide

C16H12FNO4 — CID 7924570

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1cccc(F)c1)OCO2
InChIInChI=1S/C16H12FNO4/c1-9(19)12-6-14-15(22-8-21-14)7-13(12)18-16(20)10-3-2-4-11(17)5-10/h2-7H,8H2,1H3,(H,18,20)
InChIKeyGIQDQBNDRKDHDZ-UHFFFAOYSA-N
MW301.27 g/mol
LogP3.01
Rot. Bonds3

About N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide (PubChem CID 7924570) has the molecular formula C16H12FNO4 and a molecular weight of 301.27 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide
PubChem CID7924570
Molecular FormulaC16H12FNO4
Molecular Weight301.27 g/mol
Exact Mass301.08
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1cccc(F)c1)OCO2
InChIInChI=1S/C16H12FNO4/c1-9(19)12-6-14-15(22-8-21-14)7-13(12)18-16(20)10-3-2-4-11(17)5-10/h2-7H,8H2,1H3,(H,18,20)
InChIKeyGIQDQBNDRKDHDZ-UHFFFAOYSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluorobenzamide
CID 17018288
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide
CID 18076884
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide
CID 10338943
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
CID 36753669
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55363635
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2834223
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-chloro-2-fluorobenzamide
CID 18089901
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 29418178
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 25492339
2-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]benzoate
CID 6990078
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057767
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 18189734

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide (CID 7924570) is N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide is CC(=O)c1cc2c(cc1NC(=O)c1cccc(F)c1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide?
The InChIKey is GIQDQBNDRKDHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO4/c1-9(19)12-6-14-15(22-8-21-14)7-13(12)18-16(20)10-3-2-4-11(17)5-10/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide has a molecular weight of 301.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide is sourced from PubChem (CID 7924570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).