[3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate

C24H23F2NO3 — CID 171990092

IUPAC[3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate
SMILESCCN(Cc1ccc2cc(F)c(F)cc2c1)C(=O)C(COC(C)=O)c1ccccc1
InChIInChI=1S/C24H23F2NO3/c1-3-27(14-17-9-10-19-12-22(25)23(26)13-20(19)11-17)24(29)21(15-30-16(2)28)18-7-5-4-6-8-18/h4-13,21H,3,14-15H2,1-2H3
InChIKeyOGJVSJGSNMWKKJ-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.81
Rot. Bonds7

About [3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate

[3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate (PubChem CID 171990092) has the molecular formula C24H23F2NO3 and a molecular weight of 411.45 g/mol. Its IUPAC name is [3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate.

Molecular Properties

Compound Name[3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate
PubChem CID171990092
Molecular FormulaC24H23F2NO3
Molecular Weight411.45 g/mol
Exact Mass411.16
IUPAC Name[3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate
SMILESCCN(Cc1ccc2cc(F)c(F)cc2c1)C(=O)C(COC(C)=O)c1ccccc1
InChIInChI=1S/C24H23F2NO3/c1-3-27(14-17-9-10-19-12-22(25)23(26)13-20(19)11-17)24(29)21(15-30-16(2)28)18-7-5-4-6-8-18/h4-13,21H,3,14-15H2,1-2H3
InChIKeyOGJVSJGSNMWKKJ-UHFFFAOYSA-N
XLogP4.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] 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 [3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate?
The IUPAC name of [3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate (CID 171990092) is [3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate.
What is the SMILES notation for [3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate?
The canonical SMILES for [3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate is CCN(Cc1ccc2cc(F)c(F)cc2c1)C(=O)C(COC(C)=O)c1ccccc1.
What is the InChIKey of [3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate?
The InChIKey is OGJVSJGSNMWKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO3/c1-3-27(14-17-9-10-19-12-22(25)23(26)13-20(19)11-17)24(29)21(15-30-16(2)28)18-7-5-4-6-8-18/h4-13,21H,3,14-15H2,1-2H3.
What are the key properties of [3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate?
[3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate has a molecular weight of 411.45 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6,7-difluoronaphthalen-2-yl)methyl-ethylamino]-3-oxo-2-phenylpropyl] acetate is sourced from PubChem (CID 171990092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).