N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide

C13H17BrN2O2 — CID 108506932

IUPACN-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)(C)C)c(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-8-5-6-10(9(14)7-8)15-11(17)12(18)16-13(2,3)4/h5-7H,1-4H3,(H,15,17)(H,16,18)
InChIKeyBLADPHGUBGSLBD-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.61
Rot. Bonds1

About N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide

N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide (PubChem CID 108506932) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
PubChem CID108506932
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)(C)C)c(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-8-5-6-10(9(14)7-8)15-11(17)12(18)16-13(2,3)4/h5-7H,1-4H3,(H,15,17)(H,16,18)
InChIKeyBLADPHGUBGSLBD-UHFFFAOYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511860
1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide
CID 109149632
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121268
4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
CID 109089325
N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
CID 108530383
N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108532491
N'-(2-bromo-4-methylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500869
N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228982
(2R)-2-amino-N-(2-bromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 113353272
N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide
CID 108515070
3-[(2-bromo-4-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 64700627

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide (CID 108506932) is N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide is Cc1ccc(NC(=O)C(=O)NC(C)(C)C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide?
The InChIKey is BLADPHGUBGSLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-8-5-6-10(9(14)7-8)15-11(17)12(18)16-13(2,3)4/h5-7H,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide?
N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide has a molecular weight of 313.19 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide is sourced from PubChem (CID 108506932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).