3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

C15H9Cl2N3O2 — CID 4615783

IUPAC3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1
InChIInChI=1S/C15H9Cl2N3O2/c16-11-6-4-9(5-7-11)14-19-20-15(22-14)18-13(21)10-2-1-3-12(17)8-10/h1-8H,(H,18,20,21)
InChIKeyAJJHBUGGLDGQCQ-UHFFFAOYSA-N
MW334.16 g/mol
LogP4.30
Rot. Bonds3

About 3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4615783) has the molecular formula C15H9Cl2N3O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4615783
Molecular FormulaC15H9Cl2N3O2
Molecular Weight334.16 g/mol
Exact Mass333.01
IUPAC Name3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1
InChIInChI=1S/C15H9Cl2N3O2/c16-11-6-4-9(5-7-11)14-19-20-15(22-14)18-13(21)10-2-1-3-12(17)8-10/h1-8H,(H,18,20,21)
InChIKeyAJJHBUGGLDGQCQ-UHFFFAOYSA-N
XLogP4.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4615783) is 3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is AJJHBUGGLDGQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2/c16-11-6-4-9(5-7-11)14-19-20-15(22-14)18-13(21)10-2-1-3-12(17)8-10/h1-8H,(H,18,20,21).
What are the key properties of 3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 334.16 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4615783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).