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

C15H15BrN4 — CID 129205409

IUPACN'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-methylbenzenecarboximidamide
SMILESCc1cccc(Br)c1/C(N)=N/N=C(\N)c1ccccc1
InChIInChI=1S/C15H15BrN4/c1-10-6-5-9-12(16)13(10)15(18)20-19-14(17)11-7-3-2-4-8-11/h2-9H,1H3,(H2,17,19)(H2,18,20)
InChIKeyDSADJMABZRBPIA-UHFFFAOYSA-N
MW331.22 g/mol
LogP2.78
Rot. Bonds3

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

N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-methylbenzenecarboximidamide (PubChem CID 129205409) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-methylbenzenecarboximidamide
PubChem CID129205409
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC NameN'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-methylbenzenecarboximidamide
SMILESCc1cccc(Br)c1/C(N)=N/N=C(\N)c1ccccc1
InChIInChI=1S/C15H15BrN4/c1-10-6-5-9-12(16)13(10)15(18)20-19-14(17)11-7-3-2-4-8-11/h2-9H,1H3,(H2,17,19)(H2,18,20)
InChIKeyDSADJMABZRBPIA-UHFFFAOYSA-N
XLogP2.78
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 52.78
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-methylbenzenecarboximidamide?
The IUPAC name of N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-methylbenzenecarboximidamide (CID 129205409) is N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-methylbenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-methylbenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-methylbenzenecarboximidamide is Cc1cccc(Br)c1/C(N)=N/N=C(\N)c1ccccc1.
What is the InChIKey of N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-methylbenzenecarboximidamide?
The InChIKey is DSADJMABZRBPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-10-6-5-9-12(16)13(10)15(18)20-19-14(17)11-7-3-2-4-8-11/h2-9H,1H3,(H2,17,19)(H2,18,20).
What are the key properties of N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-methylbenzenecarboximidamide?
N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-methylbenzenecarboximidamide has a molecular weight of 331.22 g/mol, XLogP of 2.78, 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-methylbenzenecarboximidamide is sourced from PubChem (CID 129205409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).