N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide

C11H13BrN2O3 — CID 568365

IUPACN'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H13BrN2O3/c12-8-3-1-4-9(7-8)14-11(17)10(16)13-5-2-6-15/h1,3-4,7,15H,2,5-6H2,(H,13,16)(H,14,17)
InChIKeyGUIYJIRQMDXNBT-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.89
Rot. Bonds4

About N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide

N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide (PubChem CID 568365) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide
PubChem CID568365
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC NameN'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H13BrN2O3/c12-8-3-1-4-9(7-8)14-11(17)10(16)13-5-2-6-15/h1,3-4,7,15H,2,5-6H2,(H,13,16)(H,14,17)
InChIKeyGUIYJIRQMDXNBT-UHFFFAOYSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.89
H-Bond Donors ≤ 53
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-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 2247264
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669914
N-(6-hydroxyhexyl)-N'-phenyloxamide
CID 50850958
N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
CID 108519583
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide
CID 108513314
N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 108525873
N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide
CID 47224195
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723
N'-(3-bromophenyl)-N-(4-chlorophenyl)oxamide
CID 108516651
N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide
CID 108512623

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide?
The IUPAC name of N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide (CID 568365) is N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide?
The canonical SMILES for N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide is O=C(NCCCO)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide?
The InChIKey is GUIYJIRQMDXNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-8-3-1-4-9(7-8)14-11(17)10(16)13-5-2-6-15/h1,3-4,7,15H,2,5-6H2,(H,13,16)(H,14,17).
What are the key properties of N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide?
N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide has a molecular weight of 301.14 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide is sourced from PubChem (CID 568365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).