N-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide

C26H20ClF5N2O2 — CID 176618783

IUPACN-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCC(C)Cc1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c2c(c1)C(=O)NC2c1cc(F)ccc1Cl
InChIInChI=1S/C26H20ClF5N2O2/c1-12(2)5-13-6-19-22(23(34-25(19)36)18-11-16(28)3-4-20(18)27)21(7-13)33-24(35)14-8-15(26(30,31)32)10-17(29)9-14/h3-4,6-12,23H,5H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyZSHWYHPXEZBDFE-UHFFFAOYSA-N
MW522.90 g/mol
LogP6.92
Rot. Bonds5

About N-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 176618783) has the molecular formula C26H20ClF5N2O2 and a molecular weight of 522.90 g/mol. Its IUPAC name is N-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID176618783
Molecular FormulaC26H20ClF5N2O2
Molecular Weight522.90 g/mol
Exact Mass522.11
IUPAC NameN-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCC(C)Cc1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c2c(c1)C(=O)NC2c1cc(F)ccc1Cl
InChIInChI=1S/C26H20ClF5N2O2/c1-12(2)5-13-6-19-22(23(34-25(19)36)18-11-16(28)3-4-20(18)27)21(7-13)33-24(35)14-8-15(26(30,31)32)10-17(29)9-14/h3-4,6-12,23H,5H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyZSHWYHPXEZBDFE-UHFFFAOYSA-N
XLogP6.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.90
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 176618783) is N-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide is CC(C)Cc1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c2c(c1)C(=O)NC2c1cc(F)ccc1Cl.
What is the InChIKey of N-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is ZSHWYHPXEZBDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF5N2O2/c1-12(2)5-13-6-19-22(23(34-25(19)36)18-11-16(28)3-4-20(18)27)21(7-13)33-24(35)14-8-15(26(30,31)32)10-17(29)9-14/h3-4,6-12,23H,5H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of N-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 522.90 g/mol, XLogP of 6.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-5-fluorophenyl)-6-(2-methylpropyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 176618783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).