N-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide

C14H16BrN3O3 — CID 74925281

IUPACN-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
SMILESCc1cc(NC(=O)CC2C(=O)NC(=O)NC2C)ccc1Br
InChIInChI=1S/C14H16BrN3O3/c1-7-5-9(3-4-11(7)15)17-12(19)6-10-8(2)16-14(21)18-13(10)20/h3-5,8,10H,6H2,1-2H3,(H,17,19)(H2,16,18,20,21)
InChIKeyYFPJSYMMJXADIZ-UHFFFAOYSA-N
MW354.20 g/mol
LogP1.93
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide

N-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide (PubChem CID 74925281) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
PubChem CID74925281
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
SMILESCc1cc(NC(=O)CC2C(=O)NC(=O)NC2C)ccc1Br
InChIInChI=1S/C14H16BrN3O3/c1-7-5-9(3-4-11(7)15)17-12(19)6-10-8(2)16-14(21)18-13(10)20/h3-5,8,10H,6H2,1-2H3,(H,17,19)(H2,16,18,20,21)
InChIKeyYFPJSYMMJXADIZ-UHFFFAOYSA-N
XLogP1.93
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703591
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
N-(3-bromo-4-methylphenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703339
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258
3-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466628
N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 4798945
N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 100588730
N-(4-bromo-3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024054
3-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 74611213

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide (CID 74925281) is N-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide is Cc1cc(NC(=O)CC2C(=O)NC(=O)NC2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide?
The InChIKey is YFPJSYMMJXADIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-7-5-9(3-4-11(7)15)17-12(19)6-10-8(2)16-14(21)18-13(10)20/h3-5,8,10H,6H2,1-2H3,(H,17,19)(H2,16,18,20,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide has a molecular weight of 354.20 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide is sourced from PubChem (CID 74925281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).