2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide

C18H15BrClN3O3 — CID 142035082

IUPAC2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide
SMILESCc1cc(Cl)cc(Br)c1CC(=O)Nc1ccc(C2=NNC(=O)OC2)cc1
InChIInChI=1S/C18H15BrClN3O3/c1-10-6-12(20)7-15(19)14(10)8-17(24)21-13-4-2-11(3-5-13)16-9-26-18(25)23-22-16/h2-7H,8-9H2,1H3,(H,21,24)(H,23,25)
InChIKeyWFGMFHXQAYWCJN-UHFFFAOYSA-N
MW436.69 g/mol
LogP4.04
Rot. Bonds4

About 2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide

2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide (PubChem CID 142035082) has the molecular formula C18H15BrClN3O3 and a molecular weight of 436.69 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide
PubChem CID142035082
Molecular FormulaC18H15BrClN3O3
Molecular Weight436.69 g/mol
Exact Mass435.00
IUPAC Name2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide
SMILESCc1cc(Cl)cc(Br)c1CC(=O)Nc1ccc(C2=NNC(=O)OC2)cc1
InChIInChI=1S/C18H15BrClN3O3/c1-10-6-12(20)7-15(19)14(10)8-17(24)21-13-4-2-11(3-5-13)16-9-26-18(25)23-22-16/h2-7H,8-9H2,1H3,(H,21,24)(H,23,25)
InChIKeyWFGMFHXQAYWCJN-UHFFFAOYSA-N
XLogP4.04
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.69
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
2-(4-bromo-2,5-dimethylphenyl)-N-[4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]acetamide
CID 142035171
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
5-[4-[4-(methylamino)phenyl]-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462992
2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide
CID 101148243
N-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110421673
N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110863086
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
CID 110619938
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N-(4-bromo-3-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8926939
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203280
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 92648916

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide (CID 142035082) is 2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide is Cc1cc(Cl)cc(Br)c1CC(=O)Nc1ccc(C2=NNC(=O)OC2)cc1.
What is the InChIKey of 2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide?
The InChIKey is WFGMFHXQAYWCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O3/c1-10-6-12(20)7-15(19)14(10)8-17(24)21-13-4-2-11(3-5-13)16-9-26-18(25)23-22-16/h2-7H,8-9H2,1H3,(H,21,24)(H,23,25).
What are the key properties of 2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide?
2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide has a molecular weight of 436.69 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloro-6-methylphenyl)-N-[4-(2-oxo-3,6-dihydro-1,3,4-oxadiazin-5-yl)phenyl]acetamide is sourced from PubChem (CID 142035082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).