[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate

C19H20FNO3 — CID 9290698

IUPAC[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NCCc2ccccc2F)cc1C
InChIInChI=1S/C19H20FNO3/c1-13-7-8-16(11-14(13)2)19(23)24-12-18(22)21-10-9-15-5-3-4-6-17(15)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyYGDFTZHTDYVAHM-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.96
Rot. Bonds6

About [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate (PubChem CID 9290698) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
PubChem CID9290698
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NCCc2ccccc2F)cc1C
InChIInChI=1S/C19H20FNO3/c1-13-7-8-16(11-14(13)2)19(23)24-12-18(22)21-10-9-15-5-3-4-6-17(15)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyYGDFTZHTDYVAHM-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290680
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230111
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-fluorobenzoate
CID 9198596
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492510
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 9009523
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540699
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 8633296
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 9008807
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 40722597
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8646371
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581743
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203338

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
The IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate (CID 9290698) is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate is Cc1ccc(C(=O)OCC(=O)NCCc2ccccc2F)cc1C.
What is the InChIKey of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
The InChIKey is YGDFTZHTDYVAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13-7-8-16(11-14(13)2)19(23)24-12-18(22)21-10-9-15-5-3-4-6-17(15)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate has a molecular weight of 329.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 9290698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).