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

C16H11F2NO4 — CID 18076884

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1cc(F)cc(F)c1)OCO2
InChIInChI=1S/C16H11F2NO4/c1-8(20)12-5-14-15(23-7-22-14)6-13(12)19-16(21)9-2-10(17)4-11(18)3-9/h2-6H,7H2,1H3,(H,19,21)
InChIKeyNYRGNEPEJCRXRS-UHFFFAOYSA-N
MW319.26 g/mol
LogP3.15
Rot. Bonds3

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

N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide (PubChem CID 18076884) has the molecular formula C16H11F2NO4 and a molecular weight of 319.26 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide
PubChem CID18076884
Molecular FormulaC16H11F2NO4
Molecular Weight319.26 g/mol
Exact Mass319.07
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1cc(F)cc(F)c1)OCO2
InChIInChI=1S/C16H11F2NO4/c1-8(20)12-5-14-15(23-7-22-14)6-13(12)19-16(21)9-2-10(17)4-11(18)3-9/h2-6H,7H2,1H3,(H,19,21)
InChIKeyNYRGNEPEJCRXRS-UHFFFAOYSA-N
XLogP3.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide
CID 7924570
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluorobenzamide
CID 17018288
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-chloro-2-fluorobenzamide
CID 18089901
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-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide
CID 10338943
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 25492339
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2834223
2-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]benzoate
CID 6990078
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromo-2-methylpropanamide
CID 146349803
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide
CID 2541719
(2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloropropanamide
CID 40558372

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide (CID 18076884) is N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide is CC(=O)c1cc2c(cc1NC(=O)c1cc(F)cc(F)c1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide?
The InChIKey is NYRGNEPEJCRXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO4/c1-8(20)12-5-14-15(23-7-22-14)6-13(12)19-16(21)9-2-10(17)4-11(18)3-9/h2-6H,7H2,1H3,(H,19,21).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide has a molecular weight of 319.26 g/mol, XLogP of 3.15, 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)-3,5-difluorobenzamide is sourced from PubChem (CID 18076884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).