4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide

C15H16BrN3O — CID 114904027

IUPAC4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(N(C)c2cc(Br)ccc2/C(N)=N/O)cc1
InChIInChI=1S/C15H16BrN3O/c1-10-3-6-12(7-4-10)19(2)14-9-11(16)5-8-13(14)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyTTZMFQIPBXPPOK-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.62
Rot. Bonds3

About 4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide

4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide (PubChem CID 114904027) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide
PubChem CID114904027
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(N(C)c2cc(Br)ccc2/C(N)=N/O)cc1
InChIInChI=1S/C15H16BrN3O/c1-10-3-6-12(7-4-10)19(2)14-9-11(16)5-8-13(14)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyTTZMFQIPBXPPOK-UHFFFAOYSA-N
XLogP3.62
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.62
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 114904020
4-bromo-N'-hydroxy-2-[methyl(2-methylpropyl)amino]benzenecarboximidamide
CID 114903890
2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929880
4-bromo-N'-hydroxy-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114903931
4-bromo-2-(N,3,5-trimethylanilino)benzenecarbothioamide
CID 114903105
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
4-bromo-N'-hydroxy-2-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 114903945
2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 107278693
4-(N,4-dimethylanilino)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76930802
4-bromo-N'-hydroxy-2-[methyl(thiolan-3-yl)amino]benzenecarboximidamide
CID 114903894
4-bromo-N'-hydroxy-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 114904090
2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76987267

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide (CID 114904027) is 4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide is Cc1ccc(N(C)c2cc(Br)ccc2/C(N)=N/O)cc1.
What is the InChIKey of 4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is TTZMFQIPBXPPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-3-6-12(7-4-10)19(2)14-9-11(16)5-8-13(14)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18).
What are the key properties of 4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide?
4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 334.22 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114904027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).