methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate

C18H16Cl2FNO4 — CID 71229556

IUPACmethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate
SMILESCOC(=O)C(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H16Cl2FNO4/c1-10(26-15-8-5-12(19)9-14(15)20)17(23)22-16(18(24)25-2)11-3-6-13(21)7-4-11/h3-10,16H,1-2H3,(H,22,23)
InChIKeyMWBVINUYAQUKCO-UHFFFAOYSA-N
MW400.23 g/mol
LogP3.93
Rot. Bonds6

About methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate

methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate (PubChem CID 71229556) has the molecular formula C18H16Cl2FNO4 and a molecular weight of 400.23 g/mol. Its IUPAC name is methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate
PubChem CID71229556
Molecular FormulaC18H16Cl2FNO4
Molecular Weight400.23 g/mol
Exact Mass399.04
IUPAC Namemethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate
SMILESCOC(=O)C(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H16Cl2FNO4/c1-10(26-15-8-5-12(19)9-14(15)20)17(23)22-16(18(24)25-2)11-3-6-13(21)7-4-11/h3-10,16H,1-2H3,(H,22,23)
InChIKeyMWBVINUYAQUKCO-UHFFFAOYSA-N
XLogP3.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate?
The IUPAC name of methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate (CID 71229556) is methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate?
The canonical SMILES for methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate is COC(=O)C(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate?
The InChIKey is MWBVINUYAQUKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FNO4/c1-10(26-15-8-5-12(19)9-14(15)20)17(23)22-16(18(24)25-2)11-3-6-13(21)7-4-11/h3-10,16H,1-2H3,(H,22,23).
What are the key properties of methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate?
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate has a molecular weight of 400.23 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-2-(4-fluorophenyl)acetate is sourced from PubChem (CID 71229556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).