4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide

C21H12F3N3O2 — CID 43038343

IUPAC4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H12F3N3O2/c22-15-10-11-16(18(24)17(15)23)25-19(28)12-6-8-14(9-7-12)21-27-26-20(29-21)13-4-2-1-3-5-13/h1-11H,(H,25,28)
InChIKeyFKVNJBGAJLBWRD-UHFFFAOYSA-N
MW395.34 g/mol
LogP5.07
Rot. Bonds4

About 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide

4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 43038343) has the molecular formula C21H12F3N3O2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID43038343
Molecular FormulaC21H12F3N3O2
Molecular Weight395.34 g/mol
Exact Mass395.09
IUPAC Name4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H12F3N3O2/c22-15-10-11-16(18(24)17(15)23)25-19(28)12-6-8-14(9-7-12)21-27-26-20(29-21)13-4-2-1-3-5-13/h1-11H,(H,25,28)
InChIKeyFKVNJBGAJLBWRD-UHFFFAOYSA-N
XLogP5.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.34
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282
2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide
CID 110681510
4-benzamido-N-(2,3,4-trifluorophenyl)benzamide
CID 30705483
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7459297
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide
CID 170150882
4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 170458785
2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 16537165
2-[(4-chlorobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45017764
2-phenyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26357388

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide (CID 43038343) is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is FKVNJBGAJLBWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N3O2/c22-15-10-11-16(18(24)17(15)23)25-19(28)12-6-8-14(9-7-12)21-27-26-20(29-21)13-4-2-1-3-5-13/h1-11H,(H,25,28).
What are the key properties of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide?
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 395.34 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 43038343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).