N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C18H15F3N2O5 — CID 16522770

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H15F3N2O5/c19-18(20,21)11-2-1-3-13(8-11)28-10-16(24)23-17(25)22-12-4-5-14-15(9-12)27-7-6-26-14/h1-5,8-9H,6-7,10H2,(H2,22,23,24,25)
InChIKeyGVZOLJWNCNFWME-UHFFFAOYSA-N
MW396.32 g/mol
LogP3.20
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 16522770) has the molecular formula C18H15F3N2O5 and a molecular weight of 396.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID16522770
Molecular FormulaC18H15F3N2O5
Molecular Weight396.32 g/mol
Exact Mass396.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H15F3N2O5/c19-18(20,21)11-2-1-3-13(8-11)28-10-16(24)23-17(25)22-12-4-5-14-15(9-12)27-7-6-26-14/h1-5,8-9H,6-7,10H2,(H2,22,23,24,25)
InChIKeyGVZOLJWNCNFWME-UHFFFAOYSA-N
XLogP3.20
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(trifluoromethyl)phenoxy]acetate
CID 7853958
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[[3-(trifluoromethyl)phenoxy]methyl]benzamide
CID 172898191
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-nitrophenoxy)acetamide
CID 7892464
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9257935
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2571071
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534208
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 3-iodobenzoate
CID 2555712
2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 4826482
2-(2,5-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 2703879
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 16522770) is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)NC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is GVZOLJWNCNFWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O5/c19-18(20,21)11-2-1-3-13(8-11)28-10-16(24)23-17(25)22-12-4-5-14-15(9-12)27-7-6-26-14/h1-5,8-9H,6-7,10H2,(H2,22,23,24,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 396.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 16522770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).