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

C16H11BrClN3O2 — CID 53049021

IUPAC2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESO=C(NCc1noc(-c2cccc(Cl)c2)n1)c1ccccc1Br
InChIInChI=1S/C16H11BrClN3O2/c17-13-7-2-1-6-12(13)15(22)19-9-14-20-16(23-21-14)10-4-3-5-11(18)8-10/h1-8H,9H2,(H,19,22)
InChIKeyHOGLPWCCFXVXKJ-UHFFFAOYSA-N
MW392.64 g/mol
LogP4.08
Rot. Bonds4

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

2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 53049021) has the molecular formula C16H11BrClN3O2 and a molecular weight of 392.64 g/mol. Its IUPAC name is 2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID53049021
Molecular FormulaC16H11BrClN3O2
Molecular Weight392.64 g/mol
Exact Mass390.97
IUPAC Name2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESO=C(NCc1noc(-c2cccc(Cl)c2)n1)c1ccccc1Br
InChIInChI=1S/C16H11BrClN3O2/c17-13-7-2-1-6-12(13)15(22)19-9-14-20-16(23-21-14)10-4-3-5-11(18)8-10/h1-8H,9H2,(H,19,22)
InChIKeyHOGLPWCCFXVXKJ-UHFFFAOYSA-N
XLogP4.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.64
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 53049021) is 2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide is O=C(NCc1noc(-c2cccc(Cl)c2)n1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is HOGLPWCCFXVXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN3O2/c17-13-7-2-1-6-12(13)15(22)19-9-14-20-16(23-21-14)10-4-3-5-11(18)8-10/h1-8H,9H2,(H,19,22).
What are the key properties of 2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide has a molecular weight of 392.64 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 53049021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).