2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide

C16H11FN2O3 — CID 146122876

IUPAC2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C16H11FN2O3/c1-18-14(20)9-2-7-12-13(8-9)16(22)19(15(12)21)11-5-3-10(17)4-6-11/h2-8H,1H3,(H,18,20)
InChIKeyOMOAKZNTQCORHQ-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.99
Rot. Bonds2

About 2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide

2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 146122876) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID146122876
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C16H11FN2O3/c1-18-14(20)9-2-7-12-13(8-9)16(22)19(15(12)21)11-5-3-10(17)4-6-11/h2-8H,1H3,(H,18,20)
InChIKeyOMOAKZNTQCORHQ-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-N-methyl-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

5-(4-fluorobenzoyl)-2-[4-[5-(4-fluorobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 102076477
N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 22899387
2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 58363770
N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9213923
N-(2-ethylphenyl)-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1329424
methyl (2S)-2-[[2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-hydroxypropanoate
CID 9277860
2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 9365829
2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 8643091
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
2-(4-fluorophenyl)-N-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9410846
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 759366

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide (CID 146122876) is 2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide is CNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is OMOAKZNTQCORHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c1-18-14(20)9-2-7-12-13(8-9)16(22)19(15(12)21)11-5-3-10(17)4-6-11/h2-8H,1H3,(H,18,20).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 146122876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).