(2,5-dibromophenyl)cyanamide

C7H4Br2N2 — CID 10540383

IUPAC(2,5-dibromophenyl)cyanamide
SMILESN#CNc1cc(Br)ccc1Br
InChIInChI=1S/C7H4Br2N2/c8-5-1-2-6(9)7(3-5)11-4-10/h1-3,11H
InChIKeyCAHIZDJGWRFUGJ-UHFFFAOYSA-N
MW275.93 g/mol
LogP3.10
Rot. Bonds1

About (2,5-dibromophenyl)cyanamide

(2,5-dibromophenyl)cyanamide (PubChem CID 10540383) has the molecular formula C7H4Br2N2 and a molecular weight of 275.93 g/mol. Its IUPAC name is (2,5-dibromophenyl)cyanamide.

Molecular Properties

Compound Name(2,5-dibromophenyl)cyanamide
PubChem CID10540383
Molecular FormulaC7H4Br2N2
Molecular Weight275.93 g/mol
Exact Mass273.87
IUPAC Name(2,5-dibromophenyl)cyanamide
SMILESN#CNc1cc(Br)ccc1Br
InChIInChI=1S/C7H4Br2N2/c8-5-1-2-6(9)7(3-5)11-4-10/h1-3,11H
InChIKeyCAHIZDJGWRFUGJ-UHFFFAOYSA-N
XLogP3.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.93
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze (2,5-dibromophenyl)cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dibromoanilino)-2-methylpropanenitrile
CID 61466960
2-(2,5-dibromoanilino)-5-methylbenzonitrile
CID 114016820
2-[1-(2,5-dibromoanilino)ethenyl]-3-methylbut-2-enenitrile
CID 138636157
2,5-dibromo-N-(2-bromophenyl)aniline
CID 101290775
5-(2,5-dibromoanilino)-2,2-dimethylpentanenitrile
CID 65253982
N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide
CID 54955294
2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile
CID 83073282
2-(2,5-dibromoanilino)pyridine-3-carbonitrile
CID 54955346
4-bromo-2-(methylamino)benzonitrile
CID 24903089
[6-(5-bromo-2-methylanilino)-2-methylpyrimidin-4-yl]cyanamide
CID 115266622
4-bromo-2-(hydroxyamino)benzonitrile
CID 130500579
2-(2,5-dibromoanilino)ethanol
CID 61467228

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)cyanamide?
The IUPAC name of (2,5-dibromophenyl)cyanamide (CID 10540383) is (2,5-dibromophenyl)cyanamide.
What is the SMILES notation for (2,5-dibromophenyl)cyanamide?
The canonical SMILES for (2,5-dibromophenyl)cyanamide is N#CNc1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)cyanamide?
The InChIKey is CAHIZDJGWRFUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2N2/c8-5-1-2-6(9)7(3-5)11-4-10/h1-3,11H.
What are the key properties of (2,5-dibromophenyl)cyanamide?
(2,5-dibromophenyl)cyanamide has a molecular weight of 275.93 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)cyanamide is sourced from PubChem (CID 10540383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).