2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide

C12H15F3N2O2 — CID 119276392

IUPAC2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
SMILESNCC(=O)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-19-7-10-3-1-9(2-4-10)6-17-11(18)5-16/h1-4H,5-8,16H2,(H,17,18)
InChIKeyXFRFFENOJSMGBC-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.34
Rot. Bonds6

About 2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide

2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide (PubChem CID 119276392) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
PubChem CID119276392
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
SMILESNCC(=O)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-19-7-10-3-1-9(2-4-10)6-17-11(18)5-16/h1-4H,5-8,16H2,(H,17,18)
InChIKeyXFRFFENOJSMGBC-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl N-[(benzylcarbamoyl)methyl]carbamate
CID 3101231
(2R)-2-acetamido-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]propanamide
CID 44538158
N-[2-(dimethylamino)ethyl]-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 892638
N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 47092654
3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 51082979
(Z)-N-[[4-(ethoxymethyl)phenyl]methyl]-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 56459368
N-[(2S)-2,3,3,3-tetrafluoro-2-[4-(methoxymethyl)phenyl]propyl]acetamide
CID 176438952
N-[methoxy(phenyl)methyl]acetamide
CID 13204976
N-methyl-2-[[2-(methylamino)-2-oxoethyl]-[[4-(phenylmethoxymethyl)phenyl]methyl]amino]acetamide
CID 47036552
N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 56795451
3-amino-5,5,5-trifluoro-N-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-2-oxopentanamide
CID 21258905

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide (CID 119276392) is 2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide is NCC(=O)NCc1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is XFRFFENOJSMGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)8-19-7-10-3-1-9(2-4-10)6-17-11(18)5-16/h1-4H,5-8,16H2,(H,17,18).
What are the key properties of 2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 119276392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).