2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide

C12H15F3N2O2 — CID 119769160

IUPAC2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCNCC(=O)Nc1cccc(OCC(F)(F)F)c1C
InChIInChI=1S/C12H15F3N2O2/c1-8-9(17-11(18)6-16-2)4-3-5-10(8)19-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyPDJMIKVKBBEQRC-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.09
Rot. Bonds5

About 2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 119769160) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID119769160
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCNCC(=O)Nc1cccc(OCC(F)(F)F)c1C
InChIInChI=1S/C12H15F3N2O2/c1-8-9(17-11(18)6-16-2)4-3-5-10(8)19-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyPDJMIKVKBBEQRC-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

2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769186
(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119315205
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide
CID 56824373
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119315211
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119315217
tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate
CID 60596060
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide
CID 119315223
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315216
2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120791678
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60716131
3-[3-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122079144
N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113368783

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 119769160) is 2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide is CNCC(=O)Nc1cccc(OCC(F)(F)F)c1C.
What is the InChIKey of 2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is PDJMIKVKBBEQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8-9(17-11(18)6-16-2)4-3-5-10(8)19-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]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 2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 119769160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).