methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate

C12H14FNO3 — CID 43407385

IUPACmethyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H14FNO3/c1-14(8-12(16)17-2)11(15)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyJREQBNTVFNFUKS-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.00
Rot. Bonds4

About methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate

methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate (PubChem CID 43407385) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate
PubChem CID43407385
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Namemethyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H14FNO3/c1-14(8-12(16)17-2)11(15)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyJREQBNTVFNFUKS-UHFFFAOYSA-N
XLogP1.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate
CID 43406909
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110669323
2-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8503168
methyl 2-[3-(3,4-difluorophenyl)propanoyl-methylamino]acetate
CID 43431151
N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 80665709
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243374
methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952798
ethyl 2-[methyl-(2-phenylacetyl)amino]acetate
CID 10489936
methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate
CID 39491135
N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115733563

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate (CID 43407385) is methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate is COC(=O)CN(C)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate?
The InChIKey is JREQBNTVFNFUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-14(8-12(16)17-2)11(15)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate?
methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate has a molecular weight of 239.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate is sourced from PubChem (CID 43407385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).