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

C18H19BrN2O2 — CID 108502479

IUPACN'-(3-bromophenyl)-N-(4-butylphenyl)oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-2-3-5-13-8-10-15(11-9-13)20-17(22)18(23)21-16-7-4-6-14(19)12-16/h4,6-12H,2-3,5H2,1H3,(H,20,22)(H,21,23)
InChIKeyKDVQNOMRXPTMBG-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.37
Rot. Bonds5

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

N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide (PubChem CID 108502479) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-(4-butylphenyl)oxamide
PubChem CID108502479
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN'-(3-bromophenyl)-N-(4-butylphenyl)oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-2-3-5-13-8-10-15(11-9-13)20-17(22)18(23)21-16-7-4-6-14(19)12-16/h4,6-12H,2-3,5H2,1H3,(H,20,22)(H,21,23)
InChIKeyKDVQNOMRXPTMBG-UHFFFAOYSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.37
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
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501318
3-bromo-N-(4-butylphenyl)benzenecarbothioamide
CID 3005909
2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide
CID 19171423
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
4-bromo-N-(4-butylphenyl)-2-fluorobenzamide
CID 43216193
N'-(3-bromophenyl)-N-(4-chlorophenyl)oxamide
CID 108516651
N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide
CID 108512623
N-(3-bromophenyl)-N',N'-dipropyloxamide
CID 47335979
N-(4-butylphenyl)-N'-naphthalen-1-yloxamide
CID 108502463
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide?
The IUPAC name of N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide (CID 108502479) is N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide?
The canonical SMILES for N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide is CCCCc1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide?
The InChIKey is KDVQNOMRXPTMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-2-3-5-13-8-10-15(11-9-13)20-17(22)18(23)21-16-7-4-6-14(19)12-16/h4,6-12H,2-3,5H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide?
N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide has a molecular weight of 375.27 g/mol, XLogP of 4.37, 5 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-butylphenyl)oxamide is sourced from PubChem (CID 108502479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).