N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide

C18H19BrN2O2 — CID 108511493

IUPACN-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C18H19BrN2O2/c1-3-12-7-5-8-13(4-2)16(12)21-18(23)17(22)20-15-10-6-9-14(19)11-15/h5-11H,3-4H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFOBGDYWHBQJEFU-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.15
Rot. Bonds4

About N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide

N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide (PubChem CID 108511493) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
PubChem CID108511493
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C18H19BrN2O2/c1-3-12-7-5-8-13(4-2)16(12)21-18(23)17(22)20-15-10-6-9-14(19)11-15/h5-11H,3-4H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFOBGDYWHBQJEFU-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.15
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'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
CID 108522318
1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108870117
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108511487
N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108522076
N-(4-anilinophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511452
N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 108986918
N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526239
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
(Z)-3-(3-bromoanilino)-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850867
N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide
CID 108502479
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide?
The IUPAC name of N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide (CID 108511493) is N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide.
What is the SMILES notation for N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide?
The canonical SMILES for N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide is CCc1cccc(CC)c1NC(=O)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide?
The InChIKey is FOBGDYWHBQJEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-3-12-7-5-8-13(4-2)16(12)21-18(23)17(22)20-15-10-6-9-14(19)11-15/h5-11H,3-4H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide?
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide has a molecular weight of 375.27 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide is sourced from PubChem (CID 108511493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).