[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

C18H18FNO5 — CID 8613255

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO5/c1-23-14-7-8-16(24-2)15(10-14)20-17(21)11-25-18(22)9-12-3-5-13(19)6-4-12/h3-8,10H,9,11H2,1-2H3,(H,20,21)
InChIKeyPBWXITPCYMRRGP-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.57
Rot. Bonds7

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 8613255) has the molecular formula C18H18FNO5 and a molecular weight of 347.34 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID8613255
Molecular FormulaC18H18FNO5
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO5/c1-23-14-7-8-16(24-2)15(10-14)20-17(21)11-25-18(22)9-12-3-5-13(19)6-4-12/h3-8,10H,9,11H2,1-2H3,(H,20,21)
InChIKeyPBWXITPCYMRRGP-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

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536122
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201293
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4792679
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523973
2-(2,4-difluorophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 39908076
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671876
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8612861
N-(2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535021
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9166789

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 8613255) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is COc1ccc(OC)c(NC(=O)COC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is PBWXITPCYMRRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5/c1-23-14-7-8-16(24-2)15(10-14)20-17(21)11-25-18(22)9-12-3-5-13(19)6-4-12/h3-8,10H,9,11H2,1-2H3,(H,20,21).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-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-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 8613255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).