N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide

C13H15BrN2O3 — CID 110863119

IUPACN-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCCOC2=O)ccc1Br
InChIInChI=1S/C13H15BrN2O3/c1-9-7-10(3-4-11(9)14)15-12(17)8-16-5-2-6-19-13(16)18/h3-4,7H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyVFAZJXVLBZWCIK-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.54
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide

N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide (PubChem CID 110863119) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
PubChem CID110863119
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCCOC2=O)ccc1Br
InChIInChI=1S/C13H15BrN2O3/c1-9-7-10(3-4-11(9)14)15-12(17)8-16-5-2-6-19-13(16)18/h3-4,7H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyVFAZJXVLBZWCIK-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378611
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
CID 110862537
2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110860875
5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 112707400
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
CID 71974021
N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2430343
2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 115295806
ethyl 4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzoate
CID 110686650
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530988
2-(2-oxo-1,3-oxazinan-3-yl)acetohydrazide
CID 130710751
N-(4-bromo-3-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690820

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide (CID 110863119) is N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide is Cc1cc(NC(=O)CN2CCCOC2=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?
The InChIKey is VFAZJXVLBZWCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-9-7-10(3-4-11(9)14)15-12(17)8-16-5-2-6-19-13(16)18/h3-4,7H,2,5-6,8H2,1H3,(H,15,17).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide has a molecular weight of 327.18 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide is sourced from PubChem (CID 110863119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).