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

C16H11BrClN3O2 — CID 110319786

IUPAC4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrClN3O2/c17-12-5-1-10(2-6-12)15(22)19-9-14-20-21-16(23-14)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,22)
InChIKeyIRKBSERBFBTNJC-UHFFFAOYSA-N
MW392.64 g/mol
LogP4.08
Rot. Bonds4

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

4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 110319786) has the molecular formula C16H11BrClN3O2 and a molecular weight of 392.64 g/mol. Its IUPAC name is 4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID110319786
Molecular FormulaC16H11BrClN3O2
Molecular Weight392.64 g/mol
Exact Mass390.97
IUPAC Name4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrClN3O2/c17-12-5-1-10(2-6-12)15(22)19-9-14-20-21-16(23-14)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,22)
InChIKeyIRKBSERBFBTNJC-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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Related Compounds

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbenzamide
CID 110319780
4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319544
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[(4-chlorobenzoyl)amino]propanoate
CID 30518885
4-bromo-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866753
2-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320118
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide
CID 110321629
4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821866
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319667
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid
CID 43466953
3-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319675
N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide
CID 50844071

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 110319786) is 4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is O=C(NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is IRKBSERBFBTNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN3O2/c17-12-5-1-10(2-6-12)15(22)19-9-14-20-21-16(23-14)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,22).
What are the key properties of 4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-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 4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110319786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).