N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide

C16H11F4NO3 — CID 86779974

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2c1OCCO2)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C16H11F4NO3/c17-9-4-5-10(11(8-9)16(18,19)20)15(22)21-12-2-1-3-13-14(12)24-7-6-23-13/h1-5,8H,6-7H2,(H,21,22)
InChIKeyMNHOTTMLBGOLAM-UHFFFAOYSA-N
MW341.26 g/mol
LogP3.87
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 86779974) has the molecular formula C16H11F4NO3 and a molecular weight of 341.26 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide
PubChem CID86779974
Molecular FormulaC16H11F4NO3
Molecular Weight341.26 g/mol
Exact Mass341.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2c1OCCO2)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C16H11F4NO3/c17-9-4-5-10(11(8-9)16(18,19)20)15(22)21-12-2-1-3-13-14(12)24-7-6-23-13/h1-5,8H,6-7H2,(H,21,22)
InChIKeyMNHOTTMLBGOLAM-UHFFFAOYSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614630
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 155977100
2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 47077609
N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 47455792
2,4-difluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8896585
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide
CID 175477457
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carboxamide
CID 55820000
N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide
CID 166443430
N-(3,5-difluoro-4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60610928
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60543221
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 60544080
N-(2,5-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 7958863

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide (CID 86779974) is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide is O=C(Nc1cccc2c1OCCO2)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is MNHOTTMLBGOLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4NO3/c17-9-4-5-10(11(8-9)16(18,19)20)15(22)21-12-2-1-3-13-14(12)24-7-6-23-13/h1-5,8H,6-7H2,(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 341.26 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 86779974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).