4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide

C16H17BrN2O2 — CID 115402282

IUPAC4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCC(C)c1cc(Br)ccc1Oc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C16H17BrN2O2/c1-10(2)14-9-12(17)5-8-15(14)21-13-6-3-11(4-7-13)16(18)19-20/h3-10,20H,1-2H3,(H2,18,19)
InChIKeyBNHHZNHNWTWUOQ-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.46
Rot. Bonds4

About 4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide

4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 115402282) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID115402282
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCC(C)c1cc(Br)ccc1Oc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C16H17BrN2O2/c1-10(2)14-9-12(17)5-8-15(14)21-13-6-3-11(4-7-13)16(18)19-20/h3-10,20H,1-2H3,(H2,18,19)
InChIKeyBNHHZNHNWTWUOQ-UHFFFAOYSA-N
XLogP4.46
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.46
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

3-bromo-N'-hydroxy-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 82786360
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402372
3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 82786342
4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide
CID 82955481
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 115402371
4-(4-bromophenoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76935020
1-[2-amino-5-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanone
CID 104613352
4-(4-bromo-2-propan-2-ylphenoxy)-2-chlorobenzonitrile
CID 115401793
4-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43621964
3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide
CID 82799401
4-[4-bromo-2-(1-hydroxyethyl)phenoxy]benzonitrile
CID 82970383

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide (CID 115402282) is 4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide is CC(C)c1cc(Br)ccc1Oc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is BNHHZNHNWTWUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10(2)14-9-12(17)5-8-15(14)21-13-6-3-11(4-7-13)16(18)19-20/h3-10,20H,1-2H3,(H2,18,19).
What are the key properties of 4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide?
4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 349.23 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 115402282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).