2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

C15H7Cl4N3O2 — CID 16821724

IUPAC2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H7Cl4N3O2/c16-7-1-3-11(18)9(5-7)13(23)20-15-22-21-14(24-15)10-6-8(17)2-4-12(10)19/h1-6H,(H,20,22,23)
InChIKeyZPULNIXHFRCAQL-UHFFFAOYSA-N
MW403.05 g/mol
LogP5.60
Rot. Bonds3

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

2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 16821724) has the molecular formula C15H7Cl4N3O2 and a molecular weight of 403.05 g/mol. Its IUPAC name is 2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID16821724
Molecular FormulaC15H7Cl4N3O2
Molecular Weight403.05 g/mol
Exact Mass400.93
IUPAC Name2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H7Cl4N3O2/c16-7-1-3-11(18)9(5-7)13(23)20-15-22-21-14(24-15)10-6-8(17)2-4-12(10)19/h1-6H,(H,20,22,23)
InChIKeyZPULNIXHFRCAQL-UHFFFAOYSA-N
XLogP5.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.05
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 16821724) is 2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is ZPULNIXHFRCAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl4N3O2/c16-7-1-3-11(18)9(5-7)13(23)20-15-22-21-14(24-15)10-6-8(17)2-4-12(10)19/h1-6H,(H,20,22,23).
What are the key properties of 2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 403.05 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 16821724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).