4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide

C14H14BrN5 — CID 142938524

IUPAC4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide
SMILES[H]/N=N/N=C(N)c1ccc(NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrN5/c15-12-5-1-10(2-6-12)9-18-13-7-3-11(4-8-13)14(16)19-20-17/h1-8,18H,9H2,(H3,16,17,19)
InChIKeyUMZYRVLHXVTUSE-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.71
Rot. Bonds5

About 4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide

4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide (PubChem CID 142938524) has the molecular formula C14H14BrN5 and a molecular weight of 332.21 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide
PubChem CID142938524
Molecular FormulaC14H14BrN5
Molecular Weight332.21 g/mol
Exact Mass331.04
IUPAC Name4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide
SMILES[H]/N=N/N=C(N)c1ccc(NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrN5/c15-12-5-1-10(2-6-12)9-18-13-7-3-11(4-8-13)14(16)19-20-17/h1-8,18H,9H2,(H3,16,17,19)
InChIKeyUMZYRVLHXVTUSE-UHFFFAOYSA-N
XLogP3.71
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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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Related Compounds

N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide
CID 154542315
N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 173497556
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741
2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol
CID 61238413
4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
CID 77025269
4-[(3-bromoanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026847
[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide
CID 43745169
4-[[3-[[4-(N'-methylcarbamimidoyl)anilino]methyl]phenyl]methylamino]benzenecarboximidamide
CID 58652724
hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
CID 142938635
4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032919
2-(4-bromophenyl)ethanimidamide;hydrochloride
CID 21499748
4-[(5-bromo-2-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77030275

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide?
The IUPAC name of 4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide (CID 142938524) is 4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide.
What is the SMILES notation for 4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide?
The canonical SMILES for 4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide is [H]/N=N/N=C(N)c1ccc(NCc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide?
The InChIKey is UMZYRVLHXVTUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5/c15-12-5-1-10(2-6-12)9-18-13-7-3-11(4-8-13)14(16)19-20-17/h1-8,18H,9H2,(H3,16,17,19).
What are the key properties of 4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide?
4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide has a molecular weight of 332.21 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide is sourced from PubChem (CID 142938524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).