N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide

C18H19BrN2O2 — CID 108986918

IUPACN-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C18H19BrN2O2/c1-4-13-7-5-6-12(3)16(13)21-18(23)17(22)20-14-9-8-11(2)15(19)10-14/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyXUDZLHQAHWNDRT-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.21
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide

N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide (PubChem CID 108986918) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
PubChem CID108986918
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C18H19BrN2O2/c1-4-13-7-5-6-12(3)16(13)21-18(23)17(22)20-14-9-8-11(2)15(19)10-14/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyXUDZLHQAHWNDRT-UHFFFAOYSA-N
XLogP4.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.21
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-ethyl-6-methylphenyl)oxamide
CID 3725747
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 108986891
N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532418
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493
N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108512016
1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108870117
3-amino-4-bromo-N-(2-ethyl-6-methylphenyl)benzamide
CID 61090453
N-(4-chloro-2-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 108512069
N-(3,4-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004358
2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide
CID 24693167
N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide
CID 108984242

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide (CID 108986918) is N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide is CCc1cccc(C)c1NC(=O)C(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide?
The InChIKey is XUDZLHQAHWNDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-4-13-7-5-6-12(3)16(13)21-18(23)17(22)20-14-9-8-11(2)15(19)10-14/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide?
N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide has a molecular weight of 375.27 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide is sourced from PubChem (CID 108986918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).