[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate

C19H20FNO3 — CID 55397534

IUPAC[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
SMILESCN(Cc1ccccc1F)C(=O)COC(=O)CCc1ccccc1
InChIInChI=1S/C19H20FNO3/c1-21(13-16-9-5-6-10-17(16)20)18(22)14-24-19(23)12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyHTCNUHLBLQHCQU-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.96
Rot. Bonds7

About [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate (PubChem CID 55397534) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
PubChem CID55397534
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
SMILESCN(Cc1ccccc1F)C(=O)COC(=O)CCc1ccccc1
InChIInChI=1S/C19H20FNO3/c1-21(13-16-9-5-6-10-17(16)20)18(22)14-24-19(23)12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyHTCNUHLBLQHCQU-UHFFFAOYSA-N
XLogP2.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 55398107
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 55397130
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 55401435
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 55397454
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55313057
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate
CID 55397003
3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 61413671
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 55399479
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016204
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845273
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 55397394

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate (CID 55397534) is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate is CN(Cc1ccccc1F)C(=O)COC(=O)CCc1ccccc1.
What is the InChIKey of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is HTCNUHLBLQHCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-21(13-16-9-5-6-10-17(16)20)18(22)14-24-19(23)12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate?
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 329.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 55397534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).