2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide

C26H18F6N2O3 — CID 58363770

IUPAC2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccc(C)cc3)(C(F)(F)F)C(F)(F)F)cc1)C2=O
InChIInChI=1S/C26H18F6N2O3/c1-14-3-6-16(7-4-14)24(25(27,28)29,26(30,31)32)17-8-10-18(11-9-17)34-22(36)19-12-5-15(21(35)33-2)13-20(19)23(34)37/h3-13H,1-2H3,(H,33,35)
InChIKeyHUGRWSCXUSDPJT-UHFFFAOYSA-N
MW520.43 g/mol
LogP5.57
Rot. Bonds4

About 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide

2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 58363770) has the molecular formula C26H18F6N2O3 and a molecular weight of 520.43 g/mol. Its IUPAC name is 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID58363770
Molecular FormulaC26H18F6N2O3
Molecular Weight520.43 g/mol
Exact Mass520.12
IUPAC Name2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccc(C)cc3)(C(F)(F)F)C(F)(F)F)cc1)C2=O
InChIInChI=1S/C26H18F6N2O3/c1-14-3-6-16(7-4-14)24(25(27,28)29,26(30,31)32)17-8-10-18(11-9-17)34-22(36)19-12-5-15(21(35)33-2)13-20(19)23(34)37/h3-13H,1-2H3,(H,33,35)
InChIKeyHUGRWSCXUSDPJT-UHFFFAOYSA-N
XLogP5.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.43
LogP ≤ 55.57
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-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 22899387
2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 146122876
5-[2-[2-(3-acetyl-5-methylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]isoindole-1,3-dione
CID 59992712
2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 759366
5-[1,1,1,3,3,3-hexafluoro-2-[2-[3-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;1-N-methyl-4-N-[3-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]phenyl]benzene-1,4-dicarboxamide;2-methyl-5-[2-[3-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 159977264
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
(4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate
CID 159247499
2-(4-fluorophenyl)-5-[1,1,1,3,3,3-hexafluoro-2-[2-(4-fluorophenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
CID 2832096
4-tert-butyl-N-[4-[4-[[4-[5-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoyl]amino]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]benzamide
CID 148536377
N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3094264
N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 19132955
CID 19914851
CID 19914851

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 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) is 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide is CNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccc(C)cc3)(C(F)(F)F)C(F)(F)F)cc1)C2=O.
What is the InChIKey of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is HUGRWSCXUSDPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F6N2O3/c1-14-3-6-16(7-4-14)24(25(27,28)29,26(30,31)32)17-8-10-18(11-9-17)34-22(36)19-12-5-15(21(35)33-2)13-20(19)23(34)37/h3-13H,1-2H3,(H,33,35).
What are the key properties of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide?
2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 520.43 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 58363770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).