4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide

C18H9F5N4O2 — CID 146461134

IUPAC4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(C(F)(F)c3noc(C(F)(F)F)n3)cc2)cc1
InChIInChI=1S/C18H9F5N4O2/c19-17(20,15-26-16(29-27-15)18(21,22)23)12-5-7-13(8-6-12)25-14(28)11-3-1-10(9-24)2-4-11/h1-8H,(H,25,28)
InChIKeyLSEDSFIJXNYIIM-UHFFFAOYSA-N
MW408.29 g/mol
LogP4.35
Rot. Bonds4

About 4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide

4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide (PubChem CID 146461134) has the molecular formula C18H9F5N4O2 and a molecular weight of 408.29 g/mol. Its IUPAC name is 4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide
PubChem CID146461134
Molecular FormulaC18H9F5N4O2
Molecular Weight408.29 g/mol
Exact Mass408.06
IUPAC Name4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(C(F)(F)c3noc(C(F)(F)F)n3)cc2)cc1
InChIInChI=1S/C18H9F5N4O2/c19-17(20,15-26-16(29-27-15)18(21,22)23)12-5-7-13(8-6-12)25-14(28)11-3-1-10(9-24)2-4-11/h1-8H,(H,25,28)
InChIKeyLSEDSFIJXNYIIM-UHFFFAOYSA-N
XLogP4.35
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
N-(4-methylphenyl)-4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide
CID 146461205
N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46292631
N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270050
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159
N-naphthalen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175248067
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
N-phenyl-4-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]benzamide
CID 146461203

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide?
The IUPAC name of 4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide (CID 146461134) is 4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide is N#Cc1ccc(C(=O)Nc2ccc(C(F)(F)c3noc(C(F)(F)F)n3)cc2)cc1.
What is the InChIKey of 4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide?
The InChIKey is LSEDSFIJXNYIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F5N4O2/c19-17(20,15-26-16(29-27-15)18(21,22)23)12-5-7-13(8-6-12)25-14(28)11-3-1-10(9-24)2-4-11/h1-8H,(H,25,28).
What are the key properties of 4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide?
4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide has a molecular weight of 408.29 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-[difluoro-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 146461134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).