2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N2O2 — CID 60646925

IUPAC2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1cccc(NCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-18-9-4-2-3-8(5-9)15-6-10(17)16-7-11(12,13)14/h2-5,15H,6-7H2,1H3,(H,16,17)
InChIKeyFTHFXUBUATUZGT-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.79
Rot. Bonds5

About 2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60646925) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60646925
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1cccc(NCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-18-9-4-2-3-8(5-9)15-6-10(17)16-7-11(12,13)14/h2-5,15H,6-7H2,1H3,(H,16,17)
InChIKeyFTHFXUBUATUZGT-UHFFFAOYSA-N
XLogP1.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37176536
2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37231584
2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39335252
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058
N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914710
N-(2,6-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 43405262
2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957321
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60638136
2-(3-methoxyanilino)-N-(1-phenylethyl)acetamide
CID 54814569

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60646925) is 2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide is COc1cccc(NCC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FTHFXUBUATUZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-18-9-4-2-3-8(5-9)15-6-10(17)16-7-11(12,13)14/h2-5,15H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 262.23 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60646925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).