N-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide

C17H18F3N3O2 — CID 86970855

IUPACN-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)COc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C17H18F3N3O2/c1-16(2,3)13-8-9-14(23-22-13)21-15(24)10-25-12-7-5-4-6-11(12)17(18,19)20/h4-9H,10H2,1-3H3,(H,21,23,24)
InChIKeyMMVYEBVYIQRYSD-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.81
Rot. Bonds4

About N-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide

N-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 86970855) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide
PubChem CID86970855
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)COc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C17H18F3N3O2/c1-16(2,3)13-8-9-14(23-22-13)21-15(24)10-25-12-7-5-4-6-11(12)17(18,19)20/h4-9H,10H2,1-3H3,(H,21,23,24)
InChIKeyMMVYEBVYIQRYSD-UHFFFAOYSA-N
XLogP3.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 164545151
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 75414453
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088271
2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide
CID 154747632
N-(2-methoxy-5-methylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 51283496
N-(2-methyl-5-methylsulfonylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686699
[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]thiourea
CID 87565289
methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
CID 56543418
N-(2,5-difluorophenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088986
2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041108
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701075
N-[2-[(dimethylamino)methyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 38435524

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide (CID 86970855) is N-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide is CC(C)(C)c1ccc(NC(=O)COc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is MMVYEBVYIQRYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-16(2,3)13-8-9-14(23-22-13)21-15(24)10-25-12-7-5-4-6-11(12)17(18,19)20/h4-9H,10H2,1-3H3,(H,21,23,24).
What are the key properties of N-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide?
N-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 353.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butylpyridazin-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 86970855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).