N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide

C19H13F3N2O4 — CID 47079144

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide
SMILESO=C(COc1ccc2ccc(C(F)(F)F)nc2c1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H13F3N2O4/c20-19(21,22)17-6-2-11-1-4-13(8-14(11)24-17)26-9-18(25)23-12-3-5-15-16(7-12)28-10-27-15/h1-8H,9-10H2,(H,23,25)
InChIKeyDZFXBMXQLFIMHH-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.00
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide

N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide (PubChem CID 47079144) has the molecular formula C19H13F3N2O4 and a molecular weight of 390.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide
PubChem CID47079144
Molecular FormulaC19H13F3N2O4
Molecular Weight390.32 g/mol
Exact Mass390.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide
SMILESO=C(COc1ccc2ccc(C(F)(F)F)nc2c1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H13F3N2O4/c20-19(21,22)17-6-2-11-1-4-13(8-14(11)24-17)26-9-18(25)23-12-3-5-15-16(7-12)28-10-27-15/h1-8H,9-10H2,(H,23,25)
InChIKeyDZFXBMXQLFIMHH-UHFFFAOYSA-N
XLogP4.00
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 7786798
N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide
CID 112978730
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853958
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 2709578
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
CID 110863204
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16522746
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595943
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534208
N-(1,3-benzodioxol-5-yl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1082985
N-(1,3-benzodioxol-5-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128509

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide (CID 47079144) is N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide is O=C(COc1ccc2ccc(C(F)(F)F)nc2c1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide?
The InChIKey is DZFXBMXQLFIMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O4/c20-19(21,22)17-6-2-11-1-4-13(8-14(11)24-17)26-9-18(25)23-12-3-5-15-16(7-12)28-10-27-15/h1-8H,9-10H2,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide has a molecular weight of 390.32 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinolin-7-yl]oxyacetamide is sourced from PubChem (CID 47079144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).