2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine

C8H10BrClN4 — CID 139495176

IUPAC2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine
SMILESNC(N)=CN(N)c1ccc(Cl)cc1Br
InChIInChI=1S/C8H10BrClN4/c9-6-3-5(10)1-2-7(6)14(13)4-8(11)12/h1-4H,11-13H2
InChIKeyGGMLACAFNGGOKL-UHFFFAOYSA-N
MW277.55 g/mol
LogP1.50
Rot. Bonds2

About 2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine

2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine (PubChem CID 139495176) has the molecular formula C8H10BrClN4 and a molecular weight of 277.55 g/mol. Its IUPAC name is 2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine.

Molecular Properties

Compound Name2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine
PubChem CID139495176
Molecular FormulaC8H10BrClN4
Molecular Weight277.55 g/mol
Exact Mass275.98
IUPAC Name2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine
SMILESNC(N)=CN(N)c1ccc(Cl)cc1Br
InChIInChI=1S/C8H10BrClN4/c9-6-3-5(10)1-2-7(6)14(13)4-8(11)12/h1-4H,11-13H2
InChIKeyGGMLACAFNGGOKL-UHFFFAOYSA-N
XLogP1.50
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine?
The IUPAC name of 2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine (CID 139495176) is 2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine.
What is the SMILES notation for 2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine?
The canonical SMILES for 2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine is NC(N)=CN(N)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine?
The InChIKey is GGMLACAFNGGOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN4/c9-6-3-5(10)1-2-7(6)14(13)4-8(11)12/h1-4H,11-13H2.
What are the key properties of 2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine?
2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine has a molecular weight of 277.55 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-amino-2-bromo-4-chloroanilino)ethene-1,1-diamine is sourced from PubChem (CID 139495176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).