2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C18H15BrClN3O3 — CID 2992378

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1cccc(-c2noc(CNC(=O)COc3ccc(Cl)cc3Br)n2)c1
InChIInChI=1S/C18H15BrClN3O3/c1-11-3-2-4-12(7-11)18-22-17(26-23-18)9-21-16(24)10-25-15-6-5-13(20)8-14(15)19/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyDOCOENGZQFSEAD-UHFFFAOYSA-N
MW436.69 g/mol
LogP4.16
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 2992378) has the molecular formula C18H15BrClN3O3 and a molecular weight of 436.69 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID2992378
Molecular FormulaC18H15BrClN3O3
Molecular Weight436.69 g/mol
Exact Mass435.00
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1cccc(-c2noc(CNC(=O)COc3ccc(Cl)cc3Br)n2)c1
InChIInChI=1S/C18H15BrClN3O3/c1-11-3-2-4-12(7-11)18-22-17(26-23-18)9-21-16(24)10-25-15-6-5-13(20)8-14(15)19/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyDOCOENGZQFSEAD-UHFFFAOYSA-N
XLogP4.16
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.69
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide with MolForge

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 2986260
2-(2-methylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 2997367
2-(2,5-dimethylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 2987985
2-(2,4-dichlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2986657
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-chlorophenoxy)acetamide
CID 50875156
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide
CID 56687229
N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083877
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
2-(4-chlorophenoxy)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6485250
1-(3-chlorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6462207
2-(4-ethoxyphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 110322807
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 2992378) is 2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is Cc1cccc(-c2noc(CNC(=O)COc3ccc(Cl)cc3Br)n2)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is DOCOENGZQFSEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O3/c1-11-3-2-4-12(7-11)18-22-17(26-23-18)9-21-16(24)10-25-15-6-5-13(20)8-14(15)19/h2-8H,9-10H2,1H3,(H,21,24).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 436.69 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 2992378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).