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

C15H16BrN3O — CID 107278693

IUPAC2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide
SMILESCc1ccccc1N(C)c1ccc(/C(N)=N/O)c(Br)c1
InChIInChI=1S/C15H16BrN3O/c1-10-5-3-4-6-14(10)19(2)11-7-8-12(13(16)9-11)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyABKHXYYETGZQPQ-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.62
Rot. Bonds3

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

2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide (PubChem CID 107278693) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide
PubChem CID107278693
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide
SMILESCc1ccccc1N(C)c1ccc(/C(N)=N/O)c(Br)c1
InChIInChI=1S/C15H16BrN3O/c1-10-5-3-4-6-14(10)19(2)11-7-8-12(13(16)9-11)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyABKHXYYETGZQPQ-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

2-bromo-N'-hydroxy-4-[methyl-[(2-methylphenyl)methyl]amino]benzenecarboximidamide
CID 107278600
N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide
CID 81277641
4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 114904027
2-bromo-N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide
CID 107278742
2-bromo-N'-hydroxy-4-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 107278810
4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide
CID 107278596
2-bromo-N'-hydroxy-4-[2-methoxyethyl(3-methoxypropyl)amino]benzenecarboximidamide
CID 107278647
N-(3-bromophenyl)-N,2-dimethylaniline
CID 146003911
4-(N,2-dimethylanilino)-2-fluorobenzoic acid
CID 113319816
4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 114904020
2-bromo-4-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 107278624
2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide
CID 114883224

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide (CID 107278693) is 2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide is Cc1ccccc1N(C)c1ccc(/C(N)=N/O)c(Br)c1.
What is the InChIKey of 2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is ABKHXYYETGZQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-5-3-4-6-14(10)19(2)11-7-8-12(13(16)9-11)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18).
What are the key properties of 2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide?
2-bromo-4-(N,2-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 2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107278693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).