[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate

C18H18FNO4 — CID 8915200

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
SMILESCc1cccc(NC(=O)COC(=O)COc2cccc(F)c2)c1C
InChIInChI=1S/C18H18FNO4/c1-12-5-3-8-16(13(12)2)20-17(21)10-24-18(22)11-23-15-7-4-6-14(19)9-15/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyBHPRCCXMPAQYBX-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.00
Rot. Bonds6

About [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate (PubChem CID 8915200) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
PubChem CID8915200
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
SMILESCc1cccc(NC(=O)COC(=O)COc2cccc(F)c2)c1C
InChIInChI=1S/C18H18FNO4/c1-12-5-3-8-16(13(12)2)20-17(21)10-24-18(22)11-23-15-7-4-6-14(19)9-15/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyBHPRCCXMPAQYBX-UHFFFAOYSA-N
XLogP3.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)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-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853946
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140402
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4801499
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855530
(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
CID 8915415
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915777
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915570
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 2593344
2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 46741581
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 40564745
[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 23855950
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779559

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate (CID 8915200) is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate is Cc1cccc(NC(=O)COC(=O)COc2cccc(F)c2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The InChIKey is BHPRCCXMPAQYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-12-5-3-8-16(13(12)2)20-17(21)10-24-18(22)11-23-15-7-4-6-14(19)9-15/h3-9H,10-11H2,1-2H3,(H,20,21).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate has a molecular weight of 331.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate is sourced from PubChem (CID 8915200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).