2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide

C19H18F4N2O4 — CID 26308531

IUPAC2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cc(F)cc2c1OCOC2
InChIInChI=1S/C19H18F4N2O4/c1-25(8-12-6-14(20)7-13-10-27-11-28-18(12)13)9-17(26)24-15-2-4-16(5-3-15)29-19(21,22)23/h2-7H,8-11H2,1H3,(H,24,26)
InChIKeySAMRUUFYMFDEBL-UHFFFAOYSA-N
MW414.36 g/mol
LogP3.66
Rot. Bonds6

About 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 26308531) has the molecular formula C19H18F4N2O4 and a molecular weight of 414.36 g/mol. Its IUPAC name is 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID26308531
Molecular FormulaC19H18F4N2O4
Molecular Weight414.36 g/mol
Exact Mass414.12
IUPAC Name2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cc(F)cc2c1OCOC2
InChIInChI=1S/C19H18F4N2O4/c1-25(8-12-6-14(20)7-13-10-27-11-28-18(12)13)9-17(26)24-15-2-4-16(5-3-15)29-19(21,22)23/h2-7H,8-11H2,1H3,(H,24,26)
InChIKeySAMRUUFYMFDEBL-UHFFFAOYSA-N
XLogP3.66
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2698960
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641843
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 47039230
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366090
N-(3-methoxyphenyl)-2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]acetamide
CID 8555182
2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366154
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 9286967
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366505
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2699943
2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8710734
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 8746165

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 26308531) is 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide is CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cc(F)cc2c1OCOC2.
What is the InChIKey of 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is SAMRUUFYMFDEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O4/c1-25(8-12-6-14(20)7-13-10-27-11-28-18(12)13)9-17(26)24-15-2-4-16(5-3-15)29-19(21,22)23/h2-7H,8-11H2,1H3,(H,24,26).
What are the key properties of 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 414.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 26308531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).