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

C19H12F6N4O2 — CID 178112527

IUPACN-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-5-fluoro-N-methyl-2-(trifluoromethyl)benzamide
SMILESCN(/N=C/c1ccc(-c2nnc(C(F)F)o2)cc1)C(=O)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C19H12F6N4O2/c1-29(18(30)13-8-12(20)6-7-14(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+
InChIKeyFBDMLPPCLCZLAQ-JQAMDZJQSA-N
MW442.32 g/mol
LogP4.94
Rot. Bonds5

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

N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-5-fluoro-N-methyl-2-(trifluoromethyl)benzamide (PubChem CID 178112527) 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]-5-fluoro-N-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-5-fluoro-N-methyl-2-(trifluoromethyl)benzamide
PubChem CID178112527
Molecular FormulaC19H12F6N4O2
Molecular Weight442.32 g/mol
Exact Mass442.09
IUPAC NameN-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-5-fluoro-N-methyl-2-(trifluoromethyl)benzamide
SMILESCN(/N=C/c1ccc(-c2nnc(C(F)F)o2)cc1)C(=O)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C19H12F6N4O2/c1-29(18(30)13-8-12(20)6-7-14(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+
InChIKeyFBDMLPPCLCZLAQ-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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Related Compounds

N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide
CID 178112393
N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-N,2-dimethyltriazole-4-carboxamide
CID 178112390
N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-N,1-dimethyl-1,2,4-triazole-3-carboxamide
CID 178112536
N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methyl-3-(trifluoromethyl)pyridine-2-carboxamide
CID 178112417
2-(3,3-difluoroazetidin-1-yl)-N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methylideneamino]-N-methylbenzamide
CID 178112239
5-cyclopropyl-N-[(E)-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methylideneamino]-N-methyl-1,2,4-triazine-6-carboxamide
CID 178112486
N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 92873818
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083
1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-ethyl-3-pyridinyl]-2-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-one
CID 162611399
N-[2-[azetidin-3-yl(methyl)amino]-5-fluorophenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide
CID 155729646
N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide
CID 146676711
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methyl-methylamino]-3H-isoindol-1-one
CID 162511018

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-5-fluoro-N-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-5-fluoro-N-methyl-2-(trifluoromethyl)benzamide (CID 178112527) is N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-5-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]-5-fluoro-N-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-5-fluoro-N-methyl-2-(trifluoromethyl)benzamide is CN(/N=C/c1ccc(-c2nnc(C(F)F)o2)cc1)C(=O)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-5-fluoro-N-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is FBDMLPPCLCZLAQ-JQAMDZJQSA-N. The full InChI is InChI=1S/C19H12F6N4O2/c1-29(18(30)13-8-12(20)6-7-14(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]-5-fluoro-N-methyl-2-(trifluoromethyl)benzamide?
N-[(E)-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methylideneamino]-5-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]-5-fluoro-N-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 178112527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).