N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide

C15H8BrCl2N3O2 — CID 16821869

IUPACN-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H8BrCl2N3O2/c16-9-3-1-8(2-4-9)14-20-21-15(23-14)19-13(22)11-6-5-10(17)7-12(11)18/h1-7H,(H,19,21,22)
InChIKeyRMHYKELUXIIQSO-UHFFFAOYSA-N
MW413.06 g/mol
LogP5.06
Rot. Bonds3

About N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide

N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide (PubChem CID 16821869) has the molecular formula C15H8BrCl2N3O2 and a molecular weight of 413.06 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
PubChem CID16821869
Molecular FormulaC15H8BrCl2N3O2
Molecular Weight413.06 g/mol
Exact Mass410.92
IUPAC NameN-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H8BrCl2N3O2/c16-9-3-1-8(2-4-9)14-20-21-15(23-14)19-13(22)11-6-5-10(17)7-12(11)18/h1-7H,(H,19,21,22)
InChIKeyRMHYKELUXIIQSO-UHFFFAOYSA-N
XLogP5.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.06
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
2,4-dichloro-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977959
2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977508
4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821866
2,4-dichloro-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603103
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 40957496
5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43975783
2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18576963
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448
5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide
CID 43972822
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 16821911
5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977382

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide?
The IUPAC name of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide (CID 16821869) is N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide is O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide?
The InChIKey is RMHYKELUXIIQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2N3O2/c16-9-3-1-8(2-4-9)14-20-21-15(23-14)19-13(22)11-6-5-10(17)7-12(11)18/h1-7H,(H,19,21,22).
What are the key properties of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide?
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide has a molecular weight of 413.06 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide is sourced from PubChem (CID 16821869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).