N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide

C16H15BrN2O2 — CID 108522318

IUPACN'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H15BrN2O2/c1-2-11-6-8-13(9-7-11)18-15(20)16(21)19-14-5-3-4-12(17)10-14/h3-10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyIXEJISCKEIDMGU-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.59
Rot. Bonds3

About N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide

N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide (PubChem CID 108522318) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
PubChem CID108522318
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H15BrN2O2/c1-2-11-6-8-13(9-7-11)18-15(20)16(21)19-14-5-3-4-12(17)10-14/h3-10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyIXEJISCKEIDMGU-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.59
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-butylphenyl)oxamide
CID 108502479
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493
N'-(3-bromophenyl)-N-(4-chlorophenyl)oxamide
CID 108516651
N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide
CID 108512623
N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 108986891
N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 24643347
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
CID 19173838
N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113000546
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
N-(3-bromophenyl)-N',N'-dipropyloxamide
CID 47335979

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide?
The IUPAC name of N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide (CID 108522318) is N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide?
The canonical SMILES for N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide is CCc1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide?
The InChIKey is IXEJISCKEIDMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-2-11-6-8-13(9-7-11)18-15(20)16(21)19-14-5-3-4-12(17)10-14/h3-10H,2H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide?
N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide has a molecular weight of 347.21 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide is sourced from PubChem (CID 108522318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).