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

C18H18FNO3 — CID 7759288

IUPAC[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESCc1ccc(C)c(NC(=O)COC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO3/c1-12-3-4-13(2)16(9-12)20-17(21)11-23-18(22)10-14-5-7-15(19)8-6-14/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyKWTIDFZUTHCPTK-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.17
Rot. Bonds5

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

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 7759288) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID7759288
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESCc1ccc(C)c(NC(=O)COC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO3/c1-12-3-4-13(2)16(9-12)20-17(21)11-23-18(22)10-14-5-7-15(19)8-6-14/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyKWTIDFZUTHCPTK-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759267
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758895
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758956
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671815
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4854024
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705565
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613255
[2-(2,5-dimethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866428
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4801728
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
CID 9034202

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 7759288) is [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is Cc1ccc(C)c(NC(=O)COC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is KWTIDFZUTHCPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-12-3-4-13(2)16(9-12)20-17(21)11-23-18(22)10-14-5-7-15(19)8-6-14/h3-9H,10-11H2,1-2H3,(H,20,21).
What are the key properties of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 315.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 7759288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).