N'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide

C11H13BrN2O3 — CID 3102407

IUPACN'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O3/c1-17-7-6-13-10(15)11(16)14-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyNVWASROFUIMJAE-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.15
Rot. Bonds4

About N'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide

N'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide (PubChem CID 3102407) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide
PubChem CID3102407
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC NameN'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O3/c1-17-7-6-13-10(15)11(16)14-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyNVWASROFUIMJAE-UHFFFAOYSA-N
XLogP1.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.15
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-(4-Bromophenyl)-2-(1-piperidinyl)acetamide
CID 326998
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CID 1149581
2-amino-N-(4-bromophenyl)acetamide
CID 871334
Methyl 2-[(3-bromophenyl)amino]propanoate
CID 5014346
N-(4-bromophenyl)-2-methoxyacetamide
CID 532084
Bromamid
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4-(4-Bromophenylcarbamoyl)morpholine
CID 853766
N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 16195210
[1-(4-Bromo-phenyl)-2,5-dioxo-pyrrolidin-3-ylamino]-acetic acid ethyl ester
CID 2833569
2-(3-bromoanilino)-N-hydroxyacetamide
CID 145950151
N-(4-bromophenyl)-2-morpholinoacetamide
CID 687266

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide (CID 3102407) is N'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide?
The InChIKey is NVWASROFUIMJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-17-7-6-13-10(15)11(16)14-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide?
N'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide has a molecular weight of 301.14 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 3102407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).