2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide

C19H15F3N2O3 — CID 11199721

IUPAC2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C(F)(F)C1=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H15F3N2O3/c20-13-7-5-12(6-8-13)9-10-23-16(25)11-24-17(26)14-3-1-2-4-15(14)19(21,22)18(24)27/h1-8H,9-11H2,(H,23,25)
InChIKeyVXAXMNZBYCSPCP-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.26
Rot. Bonds5

About 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 11199721) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID11199721
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C(F)(F)C1=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H15F3N2O3/c20-13-7-5-12(6-8-13)9-10-23-16(25)11-24-17(26)14-3-1-2-4-15(14)19(21,22)18(24)27/h1-8H,9-11H2,(H,23,25)
InChIKeyVXAXMNZBYCSPCP-UHFFFAOYSA-N
XLogP2.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide 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

3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2712696
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2084417
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7998160
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
N-[2-(4-fluorophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756687
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 113201305
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113202138
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7622192
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 2708445
N-[2-(4-fluorophenyl)ethyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014680

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 11199721) is 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CN1C(=O)c2ccccc2C(F)(F)C1=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is VXAXMNZBYCSPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c20-13-7-5-12(6-8-13)9-10-23-16(25)11-24-17(26)14-3-1-2-4-15(14)19(21,22)18(24)27/h1-8H,9-11H2,(H,23,25).
What are the key properties of 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 376.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 11199721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).