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

C21H13Cl2N3O2 — CID 2799925

IUPAC4-chloro-N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C21H13Cl2N3O2/c22-15-9-5-13(6-10-15)19(27)24-18-4-2-1-3-17(18)21-26-25-20(28-21)14-7-11-16(23)12-8-14/h1-12H,(H,24,27)
InChIKeyNUHZKIFKLVNSNN-UHFFFAOYSA-N
MW410.26 g/mol
LogP5.96
Rot. Bonds4

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

4-chloro-N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 2799925) has the molecular formula C21H13Cl2N3O2 and a molecular weight of 410.26 g/mol. Its IUPAC name is 4-chloro-N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID2799925
Molecular FormulaC21H13Cl2N3O2
Molecular Weight410.26 g/mol
Exact Mass409.04
IUPAC Name4-chloro-N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C21H13Cl2N3O2/c22-15-9-5-13(6-10-15)19(27)24-18-4-2-1-3-17(18)21-26-25-20(28-21)14-7-11-16(23)12-8-14/h1-12H,(H,24,27)
InChIKeyNUHZKIFKLVNSNN-UHFFFAOYSA-N
XLogP5.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.26
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 2799925) is 4-chloro-N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is O=C(Nc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is NUHZKIFKLVNSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O2/c22-15-9-5-13(6-10-15)19(27)24-18-4-2-1-3-17(18)21-26-25-20(28-21)14-7-11-16(23)12-8-14/h1-12H,(H,24,27).
What are the key properties of 4-chloro-N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
4-chloro-N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 410.26 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 2799925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).