N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide

C14H12BrFN4 — CID 129203988

IUPACN'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1c(F)cccc1Br)c1ccccc1
InChIInChI=1S/C14H12BrFN4/c15-10-7-4-8-11(16)12(10)14(18)20-19-13(17)9-5-2-1-3-6-9/h1-8H,(H2,17,19)(H2,18,20)
InChIKeyKHRMMFJXMRTKIH-UHFFFAOYSA-N
MW335.18 g/mol
LogP2.61
Rot. Bonds3

About N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide

N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide (PubChem CID 129203988) has the molecular formula C14H12BrFN4 and a molecular weight of 335.18 g/mol. Its IUPAC name is N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide
PubChem CID129203988
Molecular FormulaC14H12BrFN4
Molecular Weight335.18 g/mol
Exact Mass334.02
IUPAC NameN'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1c(F)cccc1Br)c1ccccc1
InChIInChI=1S/C14H12BrFN4/c15-10-7-4-8-11(16)12(10)14(18)20-19-13(17)9-5-2-1-3-6-9/h1-8H,(H2,17,19)(H2,18,20)
InChIKeyKHRMMFJXMRTKIH-UHFFFAOYSA-N
XLogP2.61
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide?
The IUPAC name of N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide (CID 129203988) is N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide is N/C(=N\N=C(/N)c1c(F)cccc1Br)c1ccccc1.
What is the InChIKey of N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide?
The InChIKey is KHRMMFJXMRTKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4/c15-10-7-4-8-11(16)12(10)14(18)20-19-13(17)9-5-2-1-3-6-9/h1-8H,(H2,17,19)(H2,18,20).
What are the key properties of N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide?
N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide has a molecular weight of 335.18 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 129203988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).