N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide

C19H12F6N4O2 — CID 178112393

IUPACN-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide
SMILESCN(/N=C/c1ccc(-c2nnc(C(F)F)o2)cc1)C(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C19H12F6N4O2/c1-29(18(30)13-7-6-12(20)8-14(13)19(23,24)25)26-9-10-2-4-11(5-3-10)16-27-28-17(31-16)15(21)22/h2-9,15H,1H3/b26-9+
InChIKeyNUWFBUAQZRBGNE-JQAMDZJQSA-N
MW442.32 g/mol
LogP4.94
Rot. Bonds5

About N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide

N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide (PubChem CID 178112393) has the molecular formula C19H12F6N4O2 and a molecular weight of 442.32 g/mol. Its IUPAC name is N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide
PubChem CID178112393
Molecular FormulaC19H12F6N4O2
Molecular Weight442.32 g/mol
Exact Mass442.09
IUPAC NameN-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide
SMILESCN(/N=C/c1ccc(-c2nnc(C(F)F)o2)cc1)C(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C19H12F6N4O2/c1-29(18(30)13-7-6-12(20)8-14(13)19(23,24)25)26-9-10-2-4-11(5-3-10)16-27-28-17(31-16)15(21)22/h2-9,15H,1H3/b26-9+
InChIKeyNUWFBUAQZRBGNE-JQAMDZJQSA-N
XLogP4.94
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide (CID 178112393) is N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide is CN(/N=C/c1ccc(-c2nnc(C(F)F)o2)cc1)C(=O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is NUWFBUAQZRBGNE-JQAMDZJQSA-N. The full InChI is InChI=1S/C19H12F6N4O2/c1-29(18(30)13-7-6-12(20)8-14(13)19(23,24)25)26-9-10-2-4-11(5-3-10)16-27-28-17(31-16)15(21)22/h2-9,15H,1H3/b26-9+.
What are the key properties of N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide?
N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide has a molecular weight of 442.32 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 178112393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).