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

C15H8Cl2FN3O2 — CID 16821708

IUPACN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
SMILESO=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1cccc(F)c1
InChIInChI=1S/C15H8Cl2FN3O2/c16-9-4-5-12(17)11(7-9)14-20-21-15(23-14)19-13(22)8-2-1-3-10(18)6-8/h1-7H,(H,19,21,22)
InChIKeyAXKZUSVUHWDNGY-UHFFFAOYSA-N
MW352.15 g/mol
LogP4.43
Rot. Bonds3

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

N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide (PubChem CID 16821708) has the molecular formula C15H8Cl2FN3O2 and a molecular weight of 352.15 g/mol. Its IUPAC name is N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
PubChem CID16821708
Molecular FormulaC15H8Cl2FN3O2
Molecular Weight352.15 g/mol
Exact Mass351.00
IUPAC NameN-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
SMILESO=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1cccc(F)c1
InChIInChI=1S/C15H8Cl2FN3O2/c16-9-4-5-12(17)11(7-9)14-20-21-15(23-14)19-13(22)8-2-1-3-10(18)6-8/h1-7H,(H,19,21,22)
InChIKeyAXKZUSVUHWDNGY-UHFFFAOYSA-N
XLogP4.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.15
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide (CID 16821708) is N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide is O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1cccc(F)c1.
What is the InChIKey of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
The InChIKey is AXKZUSVUHWDNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FN3O2/c16-9-4-5-12(17)11(7-9)14-20-21-15(23-14)19-13(22)8-2-1-3-10(18)6-8/h1-7H,(H,19,21,22).
What are the key properties of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide has a molecular weight of 352.15 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 16821708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).