2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide

C11H12F3NO2 — CID 62726523

IUPAC2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide
SMILESCOc1c(C)ccc(NC(=O)C(F)(F)F)c1C
InChIInChI=1S/C11H12F3NO2/c1-6-4-5-8(7(2)9(6)17-3)15-10(16)11(12,13)14/h4-5H,1-3H3,(H,15,16)
InChIKeyMSMCTUXOYWWXSL-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.81
Rot. Bonds2

About 2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide

2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide (PubChem CID 62726523) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide
PubChem CID62726523
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide
SMILESCOc1c(C)ccc(NC(=O)C(F)(F)F)c1C
InChIInChI=1S/C11H12F3NO2/c1-6-4-5-8(7(2)9(6)17-3)15-10(16)11(12,13)14/h4-5H,1-3H3,(H,15,16)
InChIKeyMSMCTUXOYWWXSL-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide
CID 43696159
(2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide
CID 61147125
N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
CID 23258549
4-(3-methoxy-2,4-dimethylanilino)-4-oxobutanoic acid
CID 54868313
4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide
CID 43697374
4-(3-methoxy-2,4-dimethylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497339
(2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide
CID 79011717
2-fluoro-N-(3-methoxy-2,4-dimethylphenyl)-5-methylbenzamide
CID 62509266
4-hydroxy-N-(3-methoxy-2,4-dimethylphenyl)pentanamide
CID 79203586
N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842237
2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 175043157
N-(3-methoxy-2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119728792

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide (CID 62726523) is 2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide is COc1c(C)ccc(NC(=O)C(F)(F)F)c1C.
What is the InChIKey of 2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide?
The InChIKey is MSMCTUXOYWWXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-6-4-5-8(7(2)9(6)17-3)15-10(16)11(12,13)14/h4-5H,1-3H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide?
2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide has a molecular weight of 247.22 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 62726523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).