4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide

C15H16BrN3O2 — CID 114904020

IUPAC4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide
SMILESCOc1ccc(N(C)c2cc(Br)ccc2/C(N)=N/O)cc1
InChIInChI=1S/C15H16BrN3O2/c1-19(11-4-6-12(21-2)7-5-11)14-9-10(16)3-8-13(14)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyYQMFKTXAJIDCJQ-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.32
Rot. Bonds4

About 4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide

4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide (PubChem CID 114904020) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide
PubChem CID114904020
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide
SMILESCOc1ccc(N(C)c2cc(Br)ccc2/C(N)=N/O)cc1
InChIInChI=1S/C15H16BrN3O2/c1-19(11-4-6-12(21-2)7-5-11)14-9-10(16)3-8-13(14)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyYQMFKTXAJIDCJQ-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

4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 114904027
2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981453
4-bromo-N'-hydroxy-2-[methyl(2-methylpropyl)amino]benzenecarboximidamide
CID 114903890
4-bromo-N'-hydroxy-2-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 114903945
4-bromo-N'-hydroxy-2-[methyl(thiolan-3-yl)amino]benzenecarboximidamide
CID 114903894
2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303583
2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 83385991
4-bromo-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 114904191
4-bromo-N'-hydroxy-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 114904090
2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide
CID 114883224
4-bromo-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114903918
N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81277967

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide?
The IUPAC name of 4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide (CID 114904020) is 4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide is COc1ccc(N(C)c2cc(Br)ccc2/C(N)=N/O)cc1.
What is the InChIKey of 4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide?
The InChIKey is YQMFKTXAJIDCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-19(11-4-6-12(21-2)7-5-11)14-9-10(16)3-8-13(14)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18).
What are the key properties of 4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide?
4-bromo-N'-hydroxy-2-(4-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 4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide is sourced from PubChem (CID 114904020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).