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

C18H12Cl2N6O2 — CID 171987800

IUPAC4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1c(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N6O2/c1-10-15(22-25-26(10)14-8-6-13(20)7-9-14)17-23-24-18(28-17)21-16(27)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,21,24,27)
InChIKeyNDKKZSHHUOLVJE-UHFFFAOYSA-N
MW415.24 g/mol
LogP4.18
Rot. Bonds4

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

4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 171987800) has the molecular formula C18H12Cl2N6O2 and a molecular weight of 415.24 g/mol. Its IUPAC name is 4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID171987800
Molecular FormulaC18H12Cl2N6O2
Molecular Weight415.24 g/mol
Exact Mass414.04
IUPAC Name4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1c(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N6O2/c1-10-15(22-25-26(10)14-8-6-13(20)7-9-14)17-23-24-18(28-17)21-16(27)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,21,24,27)
InChIKeyNDKKZSHHUOLVJE-UHFFFAOYSA-N
XLogP4.18
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.24
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 171987803
N-[3-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 20941225
4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 8608540
4-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972349
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
4-chloro-N-[3-[1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 22424487
3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43976885
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide
CID 13162137
4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821630
4-[[1-(4-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 7464430
1-(4-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 6484763

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide (CID 171987800) is 4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide is Cc1c(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)nnn1-c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is NDKKZSHHUOLVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N6O2/c1-10-15(22-25-26(10)14-8-6-13(20)7-9-14)17-23-24-18(28-17)21-16(27)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,21,24,27).
What are the key properties of 4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide?
4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 415.24 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 171987800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).