1-(3-bromo-5-chlorophenyl)-2-ethylguanidine

C9H11BrClN3 — CID 130697862

IUPAC1-(3-bromo-5-chlorophenyl)-2-ethylguanidine
SMILESCC/N=C(\N)Nc1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H11BrClN3/c1-2-13-9(12)14-8-4-6(10)3-7(11)5-8/h3-5H,2H2,1H3,(H3,12,13,14)
InChIKeyUVUJBKBXZVTTGN-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.85
Rot. Bonds2

About 1-(3-bromo-5-chlorophenyl)-2-ethylguanidine

1-(3-bromo-5-chlorophenyl)-2-ethylguanidine (PubChem CID 130697862) has the molecular formula C9H11BrClN3 and a molecular weight of 276.56 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-ethylguanidine
PubChem CID130697862
Molecular FormulaC9H11BrClN3
Molecular Weight276.56 g/mol
Exact Mass274.98
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-ethylguanidine
SMILESCC/N=C(\N)Nc1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H11BrClN3/c1-2-13-9(12)14-8-4-6(10)3-7(11)5-8/h3-5H,2H2,1H3,(H3,12,13,14)
InChIKeyUVUJBKBXZVTTGN-UHFFFAOYSA-N
XLogP2.85
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(3-bromo-5-chlorophenyl)-2-ethylguanidine 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 1-(3-bromo-5-chlorophenyl)-2-ethylguanidine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-ethylguanidine (CID 130697862) is 1-(3-bromo-5-chlorophenyl)-2-ethylguanidine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-ethylguanidine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-ethylguanidine is CC/N=C(\N)Nc1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-ethylguanidine?
The InChIKey is UVUJBKBXZVTTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3/c1-2-13-9(12)14-8-4-6(10)3-7(11)5-8/h3-5H,2H2,1H3,(H3,12,13,14).
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-ethylguanidine?
1-(3-bromo-5-chlorophenyl)-2-ethylguanidine has a molecular weight of 276.56 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-ethylguanidine is sourced from PubChem (CID 130697862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).