N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide

C12H17FN2O2 — CID 119777512

IUPACN-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1ccc(F)c(COC)c1
InChIInChI=1S/C12H17FN2O2/c1-14-7-12(16)15-6-9-3-4-11(13)10(5-9)8-17-2/h3-5,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyJQIFHZQFEHOOOA-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.81
Rot. Bonds6

About N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide

N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide (PubChem CID 119777512) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide
PubChem CID119777512
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1ccc(F)c(COC)c1
InChIInChI=1S/C12H17FN2O2/c1-14-7-12(16)15-6-9-3-4-11(13)10(5-9)8-17-2/h3-5,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyJQIFHZQFEHOOOA-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide
CID 119320083
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea
CID 122134358
(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methylbutanamide;hydrochloride
CID 119320080
(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
CID 119777546
1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426880
(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119320067
(3S,4S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963469
1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111121249
3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119777508
1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111786400
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(methylamino)acetamide
CID 61260109

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide (CID 119777512) is N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide is CNCC(=O)NCc1ccc(F)c(COC)c1.
What is the InChIKey of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide?
The InChIKey is JQIFHZQFEHOOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-14-7-12(16)15-6-9-3-4-11(13)10(5-9)8-17-2/h3-5,14H,6-8H2,1-2H3,(H,15,16).
What are the key properties of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide?
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide has a molecular weight of 240.28 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119777512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).