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

C17H12F3NO5 — CID 10338943

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1cccc(OC(F)(F)F)c1)OCO2
InChIInChI=1S/C17H12F3NO5/c1-9(22)12-6-14-15(25-8-24-14)7-13(12)21-16(23)10-3-2-4-11(5-10)26-17(18,19)20/h2-7H,8H2,1H3,(H,21,23)
InChIKeyBBWCCLLASACLIW-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.77
Rot. Bonds4

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

N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide (PubChem CID 10338943) has the molecular formula C17H12F3NO5 and a molecular weight of 367.28 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide
PubChem CID10338943
Molecular FormulaC17H12F3NO5
Molecular Weight367.28 g/mol
Exact Mass367.07
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1cccc(OC(F)(F)F)c1)OCO2
InChIInChI=1S/C17H12F3NO5/c1-9(22)12-6-14-15(25-8-24-14)7-13(12)21-16(23)10-3-2-4-11(5-10)26-17(18,19)20/h2-7H,8H2,1H3,(H,21,23)
InChIKeyBBWCCLLASACLIW-UHFFFAOYSA-N
XLogP3.77
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide
CID 7924570
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
CID 36753669
N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide
CID 162594452
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)-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)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 29418178
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)-2-(3-tert-butylphenoxy)acetamide
CID 42989727
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-chloro-2-fluorobenzamide
CID 18089901

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide (CID 10338943) is N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide is CC(=O)c1cc2c(cc1NC(=O)c1cccc(OC(F)(F)F)c1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide?
The InChIKey is BBWCCLLASACLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO5/c1-9(22)12-6-14-15(25-8-24-14)7-13(12)21-16(23)10-3-2-4-11(5-10)26-17(18,19)20/h2-7H,8H2,1H3,(H,21,23).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide has a molecular weight of 367.28 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 10338943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).