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

C12H14BrN3O3 — CID 47226214

IUPACN-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3O3/c1-8(17)14-6-7-15-11(18)12(19)16-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyAUFGLJHHSZEBAP-UHFFFAOYSA-N
MW328.17 g/mol
LogP0.64
Rot. Bonds4

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

N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide (PubChem CID 47226214) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide
PubChem CID47226214
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC NameN-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3O3/c1-8(17)14-6-7-15-11(18)12(19)16-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyAUFGLJHHSZEBAP-UHFFFAOYSA-N
XLogP0.64
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 50.64
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'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide
CID 3114000
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
CID 124626154
N-(2-acetamidoethyl)-N'-(3-fluorophenyl)oxamide
CID 47226155
N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide
CID 28684406
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 3-acetamidopropanoate
CID 7197466
N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491144
N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide
CID 108986546
N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515875
N-(2-acetamidoethyl)-N'-(3,5-dichloro-4-fluorophenyl)oxamide
CID 167889327
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 3910644
2-bromo-N-(4-bromophenyl)but-2-enamide
CID 54554257
N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
CID 43315800

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide?
The IUPAC name of N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide (CID 47226214) is N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide is CC(=O)NCCNC(=O)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide?
The InChIKey is AUFGLJHHSZEBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c1-8(17)14-6-7-15-11(18)12(19)16-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide?
N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide has a molecular weight of 328.17 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide is sourced from PubChem (CID 47226214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).