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

C20H22FNO4 — CID 9492510

IUPAC[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)NCCc2ccccc2F)cc1C
InChIInChI=1S/C20H22FNO4/c1-14-7-8-17(11-15(14)2)25-13-20(24)26-12-19(23)22-10-9-16-5-3-4-6-18(16)21/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,23)
InChIKeyPFQCRTZGXQHAFY-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.72
Rot. Bonds8

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

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate (PubChem CID 9492510) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
PubChem CID9492510
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)NCCc2ccccc2F)cc1C
InChIInChI=1S/C20H22FNO4/c1-14-7-8-17(11-15(14)2)25-13-20(24)26-12-19(23)22-10-9-16-5-3-4-6-18(16)21/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,23)
InChIKeyPFQCRTZGXQHAFY-UHFFFAOYSA-N
XLogP2.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9289604
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290698
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26777794
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8666148
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595886
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 9008807
N-[2-(2-fluorophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 9199968
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581743
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8646371
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
[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] 2-(3,4-dimethylphenoxy)acetate?
The IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate (CID 9492510) is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
The canonical SMILES for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate is Cc1ccc(OCC(=O)OCC(=O)NCCc2ccccc2F)cc1C.
What is the InChIKey of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
The InChIKey is PFQCRTZGXQHAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-14-7-8-17(11-15(14)2)25-13-20(24)26-12-19(23)22-10-9-16-5-3-4-6-18(16)21/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,23).
What are the key properties of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate has a molecular weight of 359.40 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate is sourced from PubChem (CID 9492510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).