[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C19H20FNO4 — CID 55397130

IUPAC[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N(C)Cc2ccccc2F)cc1
InChIInChI=1S/C19H20FNO4/c1-21(12-15-5-3-4-6-17(15)20)18(22)13-25-19(23)11-14-7-9-16(24-2)10-8-14/h3-10H,11-13H2,1-2H3
InChIKeyHCEWWLKCJTUAFG-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.58
Rot. Bonds7

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

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 55397130) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID55397130
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N(C)Cc2ccccc2F)cc1
InChIInChI=1S/C19H20FNO4/c1-21(12-15-5-3-4-6-17(15)20)18(22)13-25-19(23)11-14-7-9-16(24-2)10-8-14/h3-10H,11-13H2,1-2H3
InChIKeyHCEWWLKCJTUAFG-UHFFFAOYSA-N
XLogP2.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55397534
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201290
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 55398107
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 55401435
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 2534565
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845273
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 78768556
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 9346946
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate
CID 55397003
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 55368172
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 55397130) is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)N(C)Cc2ccccc2F)cc1.
What is the InChIKey of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is HCEWWLKCJTUAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-21(12-15-5-3-4-6-17(15)20)18(22)13-25-19(23)11-14-7-9-16(24-2)10-8-14/h3-10H,11-13H2,1-2H3.
What are the key properties of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 345.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 55397130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).