N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

C23H17FN2O3 — CID 7961430

IUPACN-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O
InChIInChI=1S/C23H17FN2O3/c1-13-7-9-16(24)12-19(13)25-21(27)15-8-10-17-18(11-15)23(29)26(22(17)28)20-6-4-3-5-14(20)2/h3-12H,1-2H3,(H,25,27)
InChIKeyFRBIRFHPFXQNEK-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.50
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 7961430) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID7961430
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O
InChIInChI=1S/C23H17FN2O3/c1-13-7-9-16(24)12-19(13)25-21(27)15-8-10-17-18(11-15)23(29)26(22(17)28)20-6-4-3-5-14(20)2/h3-12H,1-2H3,(H,25,27)
InChIKeyFRBIRFHPFXQNEK-UHFFFAOYSA-N
XLogP4.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-difluorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26360335
N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 4793298
N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1364800
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 23792936
2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 9488931
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7774642
2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108767308
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 31030404
N-(2-ethylphenyl)-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1329424
N-(5-fluoro-2-methylphenyl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 60524060
2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 55985232

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 7961430) is N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(F)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is FRBIRFHPFXQNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c1-13-7-9-16(24)12-19(13)25-21(27)15-8-10-17-18(11-15)23(29)26(22(17)28)20-6-4-3-5-14(20)2/h3-12H,1-2H3,(H,25,27).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 7961430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).