2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide

C14H20BrFN4 — CID 107536494

IUPAC2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(CC)C(C)C2)c(F)c1Br
InChIInChI=1S/C14H20BrFN4/c1-3-19-6-7-20(8-9(19)2)11-5-4-10(14(17)18)12(15)13(11)16/h4-5,9H,3,6-8H2,1-2H3,(H3,17,18)
InChIKeyVDYIANZUHIUFKX-UHFFFAOYSA-N
MW343.24 g/mol
LogP2.40
Rot. Bonds3

About 2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide

2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide (PubChem CID 107536494) has the molecular formula C14H20BrFN4 and a molecular weight of 343.24 g/mol. Its IUPAC name is 2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
PubChem CID107536494
Molecular FormulaC14H20BrFN4
Molecular Weight343.24 g/mol
Exact Mass342.09
IUPAC Name2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(CC)C(C)C2)c(F)c1Br
InChIInChI=1S/C14H20BrFN4/c1-3-19-6-7-20(8-9(19)2)11-5-4-10(14(17)18)12(15)13(11)16/h4-5,9H,3,6-8H2,1-2H3,(H3,17,18)
InChIKeyVDYIANZUHIUFKX-UHFFFAOYSA-N
XLogP2.40
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide 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-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide (CID 107536494) is 2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCN(CC)C(C)C2)c(F)c1Br.
What is the InChIKey of 2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide?
The InChIKey is VDYIANZUHIUFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN4/c1-3-19-6-7-20(8-9(19)2)11-5-4-10(14(17)18)12(15)13(11)16/h4-5,9H,3,6-8H2,1-2H3,(H3,17,18).
What are the key properties of 2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide?
2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide has a molecular weight of 343.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 107536494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).