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

C12H15BrN2O3 — CID 3114000

IUPACN'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O3/c1-18-8-2-7-14-11(16)12(17)15-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyIRARZEXOPRHYGX-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.54
Rot. Bonds5

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

N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide (PubChem CID 3114000) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide
PubChem CID3114000
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC NameN'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O3/c1-18-8-2-7-14-11(16)12(17)15-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyIRARZEXOPRHYGX-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 624152
N'-(3,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 2273691
N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide
CID 47226214
4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981040
N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide
CID 108984242
1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894240
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(3-methoxypropyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495743
N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
CID 47224631
N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide
CID 86995402
N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 3114001
5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184307

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide (CID 3114000) is N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide is COCCCNC(=O)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide?
The InChIKey is IRARZEXOPRHYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-18-8-2-7-14-11(16)12(17)15-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide?
N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide has a molecular weight of 315.17 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide is sourced from PubChem (CID 3114000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).