N-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide

C26H24F2N2O2 — CID 68775184

IUPACN-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCC(C)(C)NC(=O)C1c2ccccc2C(=O)N1Cc1cc(F)ccc1-c1ccc(F)cc1
InChIInChI=1S/C26H24F2N2O2/c1-26(2,3)29-24(31)23-21-6-4-5-7-22(21)25(32)30(23)15-17-14-19(28)12-13-20(17)16-8-10-18(27)11-9-16/h4-14,23H,15H2,1-3H3,(H,29,31)
InChIKeyZEQKKCUEFGOOCZ-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.24
Rot. Bonds4

About N-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide

N-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 68775184) has the molecular formula C26H24F2N2O2 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide
PubChem CID68775184
Molecular FormulaC26H24F2N2O2
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCC(C)(C)NC(=O)C1c2ccccc2C(=O)N1Cc1cc(F)ccc1-c1ccc(F)cc1
InChIInChI=1S/C26H24F2N2O2/c1-26(2,3)29-24(31)23-21-6-4-5-7-22(21)25(32)30(23)15-17-14-19(28)12-13-20(17)16-8-10-18(27)11-9-16/h4-14,23H,15H2,1-3H3,(H,29,31)
InChIKeyZEQKKCUEFGOOCZ-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

Analyze N-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-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

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Nvp-dky709
CID 137519326
Itareparib
CID 73774960
(R)-Thalidomide
CID 75792
Nms-P118
CID 49843531
4-Fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155537428
N-(2-Oxo-3-piperidyl)phthalimide
CID 135339
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-fluoro-
CID 11859051
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-2,3-dihydro-1H-isoindole-1,3-dione
CID 70876201
Teijin-lead_cmp_5
CID 44353447

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide (CID 68775184) is N-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide is CC(C)(C)NC(=O)C1c2ccccc2C(=O)N1Cc1cc(F)ccc1-c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is ZEQKKCUEFGOOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O2/c1-26(2,3)29-24(31)23-21-6-4-5-7-22(21)25(32)30(23)15-17-14-19(28)12-13-20(17)16-8-10-18(27)11-9-16/h4-14,23H,15H2,1-3H3,(H,29,31).
What are the key properties of N-tert-butyl-2-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide?
N-tert-butyl-2-[[5-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-[[5-fluoro-2-(4-fluorophenyl)phenyl]methyl]-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68775184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).