N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide

C17H17BrN2O2 — CID 108512305

IUPACN-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2ccccc2Br)c(C)c1
InChIInChI=1S/C17H17BrN2O2/c1-10-8-11(2)15(12(3)9-10)20-17(22)16(21)19-14-7-5-4-6-13(14)18/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyLPGRCWSLZNIJTR-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.95
Rot. Bonds2

About N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide

N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 108512305) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID108512305
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2ccccc2Br)c(C)c1
InChIInChI=1S/C17H17BrN2O2/c1-10-8-11(2)15(12(3)9-10)20-17(22)16(21)19-14-7-5-4-6-13(14)18/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyLPGRCWSLZNIJTR-UHFFFAOYSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.95
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,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-(2-carbamoylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512277
N-(4-bromo-2-methylphenyl)-N'-(2-bromophenyl)oxamide
CID 108531900
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108501524
N-(4-hydroxy-2-methylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108509461
1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea
CID 23819618
N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038935
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507
N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512223
(2-bromophenyl)carbamic acid
CID 15021878
N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide
CID 108953594

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide (CID 108512305) is N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)Nc2ccccc2Br)c(C)c1.
What is the InChIKey of N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is LPGRCWSLZNIJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-10-8-11(2)15(12(3)9-10)20-17(22)16(21)19-14-7-5-4-6-13(14)18/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 361.24 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 108512305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).