[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C18H18FNO5 — CID 2544790

IUPAC[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCOc1cc(NC(=O)COC(=O)Cc2ccccc2F)cc(OC)c1
InChIInChI=1S/C18H18FNO5/c1-23-14-8-13(9-15(10-14)24-2)20-17(21)11-25-18(22)7-12-5-3-4-6-16(12)19/h3-6,8-10H,7,11H2,1-2H3,(H,20,21)
InChIKeyPHPUJVQIFQLOCU-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.57
Rot. Bonds7

About [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 2544790) has the molecular formula C18H18FNO5 and a molecular weight of 347.34 g/mol. Its IUPAC name is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID2544790
Molecular FormulaC18H18FNO5
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCOc1cc(NC(=O)COC(=O)Cc2ccccc2F)cc(OC)c1
InChIInChI=1S/C18H18FNO5/c1-23-14-8-13(9-15(10-14)24-2)20-17(21)11-25-18(22)7-12-5-3-4-6-16(12)19/h3-6,8-10H,7,11H2,1-2H3,(H,20,21)
InChIKeyPHPUJVQIFQLOCU-UHFFFAOYSA-N
XLogP2.57
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7796353
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544721
N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18078741
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate
CID 23883804
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2126349
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 23996290
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555202
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796348
[2-(4-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840231
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8666148
N-(3,5-dimethoxyphenyl)-2-(2-fluoroanilino)acetamide
CID 26417450

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 2544790) is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is COc1cc(NC(=O)COC(=O)Cc2ccccc2F)cc(OC)c1.
What is the InChIKey of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is PHPUJVQIFQLOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5/c1-23-14-8-13(9-15(10-14)24-2)20-17(21)11-25-18(22)7-12-5-3-4-6-16(12)19/h3-6,8-10H,7,11H2,1-2H3,(H,20,21).
What are the key properties of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 347.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 2544790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).