N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C12H15F3N2O2 — CID 78958038

IUPACN-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1cc(C)ccc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-8-3-4-9(10(5-8)19-2)17-11(18)6-16-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyMDWYGLCOTVNJAK-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.09
Rot. Bonds5

About N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958038) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958038
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1cc(C)ccc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-8-3-4-9(10(5-8)19-2)17-11(18)6-16-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyMDWYGLCOTVNJAK-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914907
N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914656
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
N-(2-methoxy-4-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119740565
N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 102695182
1-(2-methoxy-5-methylphenyl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588701
2-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569170
N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957990
N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604669
3-amino-N-(2-methoxy-4-methylphenyl)butanamide
CID 60928646
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958038) is N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is COc1cc(C)ccc1NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is MDWYGLCOTVNJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8-3-4-9(10(5-8)19-2)17-11(18)6-16-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 276.26 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).