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

C26H15ClF8N4O3 — CID 176619321

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-[[4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]amino]-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(NC2=NC(C(F)(F)F)CO2)cc2c1C(c1cc(F)ccc1Cl)NC2=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H15ClF8N4O3/c27-17-2-1-12(28)6-15(17)21-20-16(23(41)39-21)7-14(36-24-38-19(9-42-24)26(33,34)35)8-18(20)37-22(40)10-3-11(25(30,31)32)5-13(29)4-10/h1-8,19,21H,9H2,(H,36,38)(H,37,40)(H,39,41)
InChIKeyYFJKSKYCSXTATH-UHFFFAOYSA-N
MW618.87 g/mol
LogP6.45
Rot. Bonds4

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

N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-[[4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]amino]-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 176619321) has the molecular formula C26H15ClF8N4O3 and a molecular weight of 618.87 g/mol. Its IUPAC name is N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-[[4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]amino]-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-[[4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]amino]-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID176619321
Molecular FormulaC26H15ClF8N4O3
Molecular Weight618.87 g/mol
Exact Mass618.07
IUPAC NameN-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-[[4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]amino]-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(NC2=NC(C(F)(F)F)CO2)cc2c1C(c1cc(F)ccc1Cl)NC2=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H15ClF8N4O3/c27-17-2-1-12(28)6-15(17)21-20-16(23(41)39-21)7-14(36-24-38-19(9-42-24)26(33,34)35)8-18(20)37-22(40)10-3-11(25(30,31)32)5-13(29)4-10/h1-8,19,21H,9H2,(H,36,38)(H,37,40)(H,39,41)
InChIKeyYFJKSKYCSXTATH-UHFFFAOYSA-N
XLogP6.45
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.87
LogP ≤ 56.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-[[4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]amino]-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-[[4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]amino]-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 176619321) is N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-[[4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]amino]-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-[[4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]amino]-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-[[4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]amino]-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide is O=C(Nc1cc(NC2=NC(C(F)(F)F)CO2)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)-1-oxo-6-[[4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]amino]-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is YFJKSKYCSXTATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15ClF8N4O3/c27-17-2-1-12(28)6-15(17)21-20-16(23(41)39-21)7-14(36-24-38-19(9-42-24)26(33,34)35)8-18(20)37-22(40)10-3-11(25(30,31)32)5-13(29)4-10/h1-8,19,21H,9H2,(H,36,38)(H,37,40)(H,39,41).
What are the key properties of N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-[[4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]amino]-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-[[4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]amino]-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 618.87 g/mol, XLogP of 6.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-[[4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]amino]-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 176619321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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