2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide

C15H16BrN3O2 — CID 114883224

IUPAC2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide
SMILESCOc1cccc(N(C)c2cccc(Br)c2/C(N)=N/O)c1
InChIInChI=1S/C15H16BrN3O2/c1-19(10-5-3-6-11(9-10)21-2)13-8-4-7-12(16)14(13)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyNSPCIDYCDGWAIN-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.32
Rot. Bonds4

About 2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide

2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide (PubChem CID 114883224) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide
PubChem CID114883224
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide
SMILESCOc1cccc(N(C)c2cccc(Br)c2/C(N)=N/O)c1
InChIInChI=1S/C15H16BrN3O2/c1-19(10-5-3-6-11(9-10)21-2)13-8-4-7-12(16)14(13)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyNSPCIDYCDGWAIN-UHFFFAOYSA-N
XLogP3.32
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-N'-hydroxy-4-(3-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981432
2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide
CID 79519487
2-bromo-N'-hydroxy-6-[3-methoxypropyl(methyl)amino]benzenecarboximidamide
CID 114883251
N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide
CID 76930674
2-bromo-6-(3-hydroxy-N-methylanilino)benzenecarbothioamide
CID 107735485
2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883174
4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 114904020
2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide
CID 114883200
2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
CID 114883406
2-bromo-6-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883124
2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883247
2-bromo-N'-hydroxy-6-[methyl-[(2-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114883137

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide (CID 114883224) is 2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide is COc1cccc(N(C)c2cccc(Br)c2/C(N)=N/O)c1.
What is the InChIKey of 2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide?
The InChIKey is NSPCIDYCDGWAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-19(10-5-3-6-11(9-10)21-2)13-8-4-7-12(16)14(13)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18).
What are the key properties of 2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide?
2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide has a molecular weight of 350.22 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide is sourced from PubChem (CID 114883224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).