N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C13H17F3N2O2 — CID 78942336

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCc1ccccc1CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-20-8-11-5-3-2-4-10(11)6-18-12(19)7-17-9-13(14,15)16/h2-5,17H,6-9H2,1H3,(H,18,19)
InChIKeyMFPDQYLTLRYXPF-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.60
Rot. Bonds7

About N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78942336) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78942336
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCc1ccccc1CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-20-8-11-5-3-2-4-10(11)6-18-12(19)7-17-9-13(14,15)16/h2-5,17H,6-9H2,1H3,(H,18,19)
InChIKeyMFPDQYLTLRYXPF-UHFFFAOYSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914832
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
2-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065353
N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide
CID 60977162
2-(2-methoxyethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 79282836
N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914710
N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235616
N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32605316
N-[[2-(methoxymethyl)phenyl]methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]acetamide
CID 112841290
2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 71848786
3,4,5-trimethoxy-N-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30855829
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78942336) is N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide is COCc1ccccc1CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is MFPDQYLTLRYXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-20-8-11-5-3-2-4-10(11)6-18-12(19)7-17-9-13(14,15)16/h2-5,17H,6-9H2,1H3,(H,18,19).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 290.28 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78942336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).