N-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide

C26H24F2N2O2 — CID 68774942

IUPACN-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCC(C)(C)NC(=O)C1c2ccccc2C(=O)N1Cc1ccc(F)cc1-c1ccc(F)cc1
InChIInChI=1S/C26H24F2N2O2/c1-26(2,3)29-24(31)23-20-6-4-5-7-21(20)25(32)30(23)15-17-10-13-19(28)14-22(17)16-8-11-18(27)12-9-16/h4-14,23H,15H2,1-3H3,(H,29,31)
InChIKeyQCUCBWDIHUSSPQ-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.24
Rot. Bonds4

About N-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide

N-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 68774942) has the molecular formula C26H24F2N2O2 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide
PubChem CID68774942
Molecular FormulaC26H24F2N2O2
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCC(C)(C)NC(=O)C1c2ccccc2C(=O)N1Cc1ccc(F)cc1-c1ccc(F)cc1
InChIInChI=1S/C26H24F2N2O2/c1-26(2,3)29-24(31)23-20-6-4-5-7-21(20)25(32)30(23)15-17-10-13-19(28)14-22(17)16-8-11-18(27)12-9-16/h4-14,23H,15H2,1-3H3,(H,29,31)
InChIKeyQCUCBWDIHUSSPQ-UHFFFAOYSA-N
XLogP5.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68770301
5-bromo-N-tert-butyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide
CID 24967751
N-tert-butyl-6-[(3,5-dimethylphenyl)methyl]-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide
CID 53242441
N-tert-butyl-5-oxo-6-[(2,4,6-trimethylphenyl)methyl]-7H-benzo[d][2]benzazepine-7-carboxamide
CID 52918047
2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,3-dimethylcyclohexyl)-3-oxo-1H-isoindole-1-carboxamide
CID 4124667
[(1R)-1-(tert-butylcarbamoyl)-4-methyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindol-5-yl] trifluoromethanesulfonate
CID 87692640
N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 24803449
2-(2,2-dimethylpropyl)-N-[2-(3-fluorophenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68773536
N-tert-butyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
CID 68775440
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,2-dimethylpropyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68773356
N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide
CID 53243914
2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
CID 44552144

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide (CID 68774942) is N-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide is CC(C)(C)NC(=O)C1c2ccccc2C(=O)N1Cc1ccc(F)cc1-c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is QCUCBWDIHUSSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O2/c1-26(2,3)29-24(31)23-20-6-4-5-7-21(20)25(32)30(23)15-17-10-13-19(28)14-22(17)16-8-11-18(27)12-9-16/h4-14,23H,15H2,1-3H3,(H,29,31).
What are the key properties of N-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide?
N-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[4-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68774942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).