[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate

C18H18FNO4 — CID 9461986

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate
SMILESCOc1ccccc1CNC(=O)COC(=O)Cc1cccc(F)c1
InChIInChI=1S/C18H18FNO4/c1-23-16-8-3-2-6-14(16)11-20-17(21)12-24-18(22)10-13-5-4-7-15(19)9-13/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyQFDHKPWTHGLCBJ-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.24
Rot. Bonds7

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate (PubChem CID 9461986) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate
PubChem CID9461986
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate
SMILESCOc1ccccc1CNC(=O)COC(=O)Cc1cccc(F)c1
InChIInChI=1S/C18H18FNO4/c1-23-16-8-3-2-6-14(16)11-20-17(21)12-24-18(22)10-13-5-4-7-15(19)9-13/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyQFDHKPWTHGLCBJ-UHFFFAOYSA-N
XLogP2.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-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 [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate (CID 9461986) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate is COc1ccccc1CNC(=O)COC(=O)Cc1cccc(F)c1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The InChIKey is QFDHKPWTHGLCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-23-16-8-3-2-6-14(16)11-20-17(21)12-24-18(22)10-13-5-4-7-15(19)9-13/h2-9H,10-12H2,1H3,(H,20,21).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate has a molecular weight of 331.34 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 9461986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).