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

C25H13ClF5N3O3 — CID 166821614

IUPACN-[3-(2-chloro-5-fluorophenyl)-6-(1,3-oxazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2ncco2)cc2c1C(c1cc(F)ccc1Cl)NC2=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H13ClF5N3O3/c26-18-2-1-14(27)10-16(18)21-20-17(23(36)34-21)7-12(24-32-3-4-37-24)8-19(20)33-22(35)11-5-13(25(29,30)31)9-15(28)6-11/h1-10,21H,(H,33,35)(H,34,36)
InChIKeyZUFDYCIFPLFXAY-UHFFFAOYSA-N
MW533.84 g/mol
LogP6.38
Rot. Bonds4

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

N-[3-(2-chloro-5-fluorophenyl)-6-(1,3-oxazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 166821614) has the molecular formula C25H13ClF5N3O3 and a molecular weight of 533.84 g/mol. Its IUPAC name is N-[3-(2-chloro-5-fluorophenyl)-6-(1,3-oxazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-chloro-5-fluorophenyl)-6-(1,3-oxazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID166821614
Molecular FormulaC25H13ClF5N3O3
Molecular Weight533.84 g/mol
Exact Mass533.06
IUPAC NameN-[3-(2-chloro-5-fluorophenyl)-6-(1,3-oxazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2ncco2)cc2c1C(c1cc(F)ccc1Cl)NC2=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H13ClF5N3O3/c26-18-2-1-14(27)10-16(18)21-20-17(23(36)34-21)7-12(24-32-3-4-37-24)8-19(20)33-22(35)11-5-13(25(29,30)31)9-15(28)6-11/h1-10,21H,(H,33,35)(H,34,36)
InChIKeyZUFDYCIFPLFXAY-UHFFFAOYSA-N
XLogP6.38
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.84
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(2-chloro-5-fluorophenyl)-6-(1,3-oxazol-2-yl)-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-(1,3-oxazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-chloro-5-fluorophenyl)-6-(1,3-oxazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 166821614) is N-[3-(2-chloro-5-fluorophenyl)-6-(1,3-oxazol-2-yl)-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-(1,3-oxazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-chloro-5-fluorophenyl)-6-(1,3-oxazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide is O=C(Nc1cc(-c2ncco2)cc2c1C(c1cc(F)ccc1Cl)NC2=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(2-chloro-5-fluorophenyl)-6-(1,3-oxazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is ZUFDYCIFPLFXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13ClF5N3O3/c26-18-2-1-14(27)10-16(18)21-20-17(23(36)34-21)7-12(24-32-3-4-37-24)8-19(20)33-22(35)11-5-13(25(29,30)31)9-15(28)6-11/h1-10,21H,(H,33,35)(H,34,36).
What are the key properties of N-[3-(2-chloro-5-fluorophenyl)-6-(1,3-oxazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[3-(2-chloro-5-fluorophenyl)-6-(1,3-oxazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 533.84 g/mol, XLogP of 6.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-5-fluorophenyl)-6-(1,3-oxazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 166821614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).