N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide

C12H15BrN2O4 — CID 108524350

IUPACN'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
SMILESO=C(NCCOCCO)C(=O)Nc1ccccc1Br
InChIInChI=1S/C12H15BrN2O4/c13-9-3-1-2-4-10(9)15-12(18)11(17)14-5-7-19-8-6-16/h1-4,16H,5-8H2,(H,14,17)(H,15,18)
InChIKeyFFGXDIYIKOEDRR-UHFFFAOYSA-N
MW331.17 g/mol
LogP0.51
Rot. Bonds6

About N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide

N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide (PubChem CID 108524350) has the molecular formula C12H15BrN2O4 and a molecular weight of 331.17 g/mol. Its IUPAC name is N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
PubChem CID108524350
Molecular FormulaC12H15BrN2O4
Molecular Weight331.17 g/mol
Exact Mass330.02
IUPAC NameN'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
SMILESO=C(NCCOCCO)C(=O)Nc1ccccc1Br
InChIInChI=1S/C12H15BrN2O4/c13-9-3-1-2-4-10(9)15-12(18)11(17)14-5-7-19-8-6-16/h1-4,16H,5-8H2,(H,14,17)(H,15,18)
InChIKeyFFGXDIYIKOEDRR-UHFFFAOYSA-N
XLogP0.51
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-(2-carbamoylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524308
N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide
CID 4614833
ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108501826
N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524269
N'-(2-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491139
methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108524295
N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108514776
N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 3838884
(2-bromophenyl)carbamic acid
CID 15021878
N'-[(E)-[4-(2-bromoanilino)-4-oxobutan-2-ylidene]amino]-N-(2-methoxyethyl)oxamide
CID 46501572
2-[2-(2,6-dibromoanilino)ethoxy]ethanol
CID 107599049
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524368

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The IUPAC name of N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide (CID 108524350) is N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide.
What is the SMILES notation for N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The canonical SMILES for N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide is O=C(NCCOCCO)C(=O)Nc1ccccc1Br.
What is the InChIKey of N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The InChIKey is FFGXDIYIKOEDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4/c13-9-3-1-2-4-10(9)15-12(18)11(17)14-5-7-19-8-6-16/h1-4,16H,5-8H2,(H,14,17)(H,15,18).
What are the key properties of N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide has a molecular weight of 331.17 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide is sourced from PubChem (CID 108524350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).