CAS 825643-73-0 2-(3,5-Bis(trifluoromethyl)phenyl)-N-(6-chloro-4-(4-fluoro-2-methylphenyl)pyrid-3-yl)-N,2-dimethylpropanamide (HCID 23502784)

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Grundinformationen

CAS: 825643-73-0
Standard-SMILES: Cc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: GPIQHPBJRAPFDV-UHFFFAOYSA-N
Summenformel: C25H20ClF7N2O
Durchschnittliche Molmasse: 532,9 g/mol

Namen und Bezeichner

Bevorzugter Name: 2-(3,5-Bis(trifluoromethyl)phenyl)-N-(6-chloro-4-(4-fluoro-2-methylphenyl)pyrid-3-yl)-N,2-dimethylpropanamide
IUPAC: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
Englischer Name: N-[6-Chloro-4-(4-fluoro-2-methylp henyl)-3-pyridinyl]-N,a,a-trimethy
Summenformel: C25H20ClF7N2O
Molmasse: 532.89

Namen und Synonyme

825643-73-02-(3,5-Bis(trifluoromethyl)phenyl)-N-(6-chloro-4-(4-fluoro-2-methylphenyl)pyrid-3-yl)-N,2-dimethylpropanamideRefChem:454679877-049-72-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide2-(3,5-Bis(trifluoromethyl)phenyl)-N-(6-chloro-4-(4-fluoro-2-methylphenyl)pyridin-3-yl)-N,2-dimethylpropanamide2-[3,5-bis(trifluoromethyl)phenyl]-n-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-n,2-dimethyl propanamideSCHEMBL336998SCHEMBL30981003SCHEMBL309810042-[3,5-Bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)-3-pyridyl]-N,2-dimethylpropanamideSY324732

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Elinzanetant Impurity 3N-[6-Chloro-4-(4-fluoro-2-methylp henyl)-3-pyridinyl]-N,a,a-trimethybis(trifluoromethyl)phenyl)-N-(6-chloro-4-(4-fluoro-2-methylphenyl)pyridin-3-yl)-N,2-dimethylpropanamide2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2,N-dimethylpropanamide

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 7,6
Polarare Oberfläche (TPSA): 33,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 4
Schwere Atome: 36
Formalladung: 0
Komplexität: 752

Physikochemische Eigenschaften

Siedepunkt: 504.6 · 504.6±50.0 °C(Predicted)
Dichte: 1.353 · 1.353±0.06 g/cm3(Predicted)
pka: -0.32 · -0.32±0.10(Predicted)
InChI: InChI=1S/C25H20ClF7N2O/c1-13-7-17(27)5-6-18(13)19-11-21(26)34-12-20(19)35(4)22(36)23(2,3)14-8-15(24(28,29)30)10-16(9-14)25(31,32)33/h5-12H,1-4H3
InChIKey: GPIQHPBJRAPFDV-UHFFFAOYSA-N
SMILES: N(C1=CN=C(Cl)C=C1C1C=CC(F)=CC=1C)(C)C(=O)C(C1C=C(C(F)(F)F)C=C(C(F)(F)F)C=1)(C)C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.