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

C16H8Cl2N4O2 — CID 7244017

IUPAC4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1
InChIInChI=1S/C16H8Cl2N4O2/c17-11-5-6-13(18)12(7-11)15-21-22-16(24-15)20-14(23)10-3-1-9(8-19)2-4-10/h1-7H,(H,20,22,23)
InChIKeyJZIYRUNDWAKFKH-UHFFFAOYSA-N
MW359.17 g/mol
LogP4.17
Rot. Bonds3

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

4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 7244017) has the molecular formula C16H8Cl2N4O2 and a molecular weight of 359.17 g/mol. Its IUPAC name is 4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID7244017
Molecular FormulaC16H8Cl2N4O2
Molecular Weight359.17 g/mol
Exact Mass358.00
IUPAC Name4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1
InChIInChI=1S/C16H8Cl2N4O2/c17-11-5-6-13(18)12(7-11)15-21-22-16(24-15)20-14(23)10-3-1-9(8-19)2-4-10/h1-7H,(H,20,22,23)
InChIKeyJZIYRUNDWAKFKH-UHFFFAOYSA-N
XLogP4.17
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 7244014
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16821748
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
CID 7533192
5-bromo-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 16821719
4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16810023
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide
CID 43976145
4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 8608540
4-cyano-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655668
2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide
CID 43977085
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 7244017) is 4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is N#Cc1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1.
What is the InChIKey of 4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is JZIYRUNDWAKFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N4O2/c17-11-5-6-13(18)12(7-11)15-21-22-16(24-15)20-14(23)10-3-1-9(8-19)2-4-10/h1-7H,(H,20,22,23).
What are the key properties of 4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 359.17 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 7244017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).