N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide

C17H12FN3O4 — CID 99804576

IUPACN-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc3c(c2)C(=O)NC3=O)ccc1F
InChIInChI=1S/C17H12FN3O4/c1-8(22)19-14-7-10(3-5-13(14)18)20-15(23)9-2-4-11-12(6-9)17(25)21-16(11)24/h2-7H,1H3,(H,19,22)(H,20,23)(H,21,24,25)
InChIKeyBMDDVAKRVOABHZ-UHFFFAOYSA-N
MW341.30 g/mol
LogP1.92
Rot. Bonds3

About N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide

N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 99804576) has the molecular formula C17H12FN3O4 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID99804576
Molecular FormulaC17H12FN3O4
Molecular Weight341.30 g/mol
Exact Mass341.08
IUPAC NameN-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc3c(c2)C(=O)NC3=O)ccc1F
InChIInChI=1S/C17H12FN3O4/c1-8(22)19-14-7-10(3-5-13(14)18)20-15(23)9-2-4-11-12(6-9)17(25)21-16(11)24/h2-7H,1H3,(H,19,22)(H,20,23)(H,21,24,25)
InChIKeyBMDDVAKRVOABHZ-UHFFFAOYSA-N
XLogP1.92
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide 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

1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 22001655
N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 164728727
N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63971441
4-fluoro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662519
[4-[(1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] acetate
CID 4048166
N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17172105
N-(3-acetamido-4-fluorophenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55532881
4-chloro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662497
N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
CID 46632768
N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 60723641
N-(3-acetamido-4-fluorophenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55531666

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide (CID 99804576) is N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide is CC(=O)Nc1cc(NC(=O)c2ccc3c(c2)C(=O)NC3=O)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is BMDDVAKRVOABHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O4/c1-8(22)19-14-7-10(3-5-13(14)18)20-15(23)9-2-4-11-12(6-9)17(25)21-16(11)24/h2-7H,1H3,(H,19,22)(H,20,23)(H,21,24,25).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 341.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 99804576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).