N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide

C10H7Br2N3O2 — CID 54955294

IUPACN-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide
SMILESN#CCNC(=O)C(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C10H7Br2N3O2/c11-6-1-2-7(12)8(5-6)15-10(17)9(16)14-4-3-13/h1-2,5H,4H2,(H,14,16)(H,15,17)
InChIKeyFGEDFPWBEYSILV-UHFFFAOYSA-N
MW360.99 g/mol
LogP1.79
Rot. Bonds2

About N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide

N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide (PubChem CID 54955294) has the molecular formula C10H7Br2N3O2 and a molecular weight of 360.99 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide
PubChem CID54955294
Molecular FormulaC10H7Br2N3O2
Molecular Weight360.99 g/mol
Exact Mass358.89
IUPAC NameN-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide
SMILESN#CCNC(=O)C(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C10H7Br2N3O2/c11-6-1-2-7(12)8(5-6)15-10(17)9(16)14-4-3-13/h1-2,5H,4H2,(H,14,16)(H,15,17)
InChIKeyFGEDFPWBEYSILV-UHFFFAOYSA-N
XLogP1.79
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.99
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-cyano-5-(2,5-dibromoanilino)-3-hydroxy-5-oxopent-3-enoic acid
CID 54728569
N'-(4-bromo-3-nitrophenyl)-N-(cyanomethyl)oxamide
CID 79767470
2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide
CID 114291248
2-chloro-N-(2,5-dibromophenyl)acetamide
CID 3433301
N-(cyanomethyl)-N'-[2-fluoro-5-(trifluoromethyl)phenyl]oxamide
CID 63037708
2-bromo-N-(2,5-dibromophenyl)butanamide
CID 62856561
2-(2-bromo-5-methylanilino)-N-(cyanomethyl)acetamide
CID 82713144
2-[1-(2,5-dibromoanilino)ethenyl]-3-methylbut-2-enenitrile
CID 138636157
1-(2,5-dibromophenyl)-3-prop-2-enylurea
CID 47033525
N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide
CID 60842016
N-(2-bromo-5-fluorophenyl)-N'-(1-cyanopropan-2-yl)-N'-methyloxamide
CID 119044037
3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176576

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide (CID 54955294) is N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide is N#CCNC(=O)C(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide?
The InChIKey is FGEDFPWBEYSILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N3O2/c11-6-1-2-7(12)8(5-6)15-10(17)9(16)14-4-3-13/h1-2,5H,4H2,(H,14,16)(H,15,17).
What are the key properties of N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide?
N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide has a molecular weight of 360.99 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide is sourced from PubChem (CID 54955294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).