3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide

C15H23BrN2O2 — CID 82798762

IUPAC3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCCCC(CC)COc1ccc(/C(N)=N/O)cc1Br
InChIInChI=1S/C15H23BrN2O2/c1-3-5-6-11(4-2)10-20-14-8-7-12(9-13(14)16)15(17)18-19/h7-9,11,19H,3-6,10H2,1-2H3,(H2,17,18)
InChIKeyUPRSSBZTOSSERR-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.14
Rot. Bonds8

About 3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide

3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 82798762) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID82798762
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCCCC(CC)COc1ccc(/C(N)=N/O)cc1Br
InChIInChI=1S/C15H23BrN2O2/c1-3-5-6-11(4-2)10-20-14-8-7-12(9-13(14)16)15(17)18-19/h7-9,11,19H,3-6,10H2,1-2H3,(H2,17,18)
InChIKeyUPRSSBZTOSSERR-UHFFFAOYSA-N
XLogP4.14
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.14
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-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 76917560
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930160
3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide
CID 82800140
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
3-bromo-4-(2-ethylhexoxy)benzonitrile
CID 82797324
4-(2-ethylhexoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277300
5-bromo-2-(2-ethylhexoxy)benzenecarbothioamide
CID 83144919
3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 82800243
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
3-bromo-N'-hydroxy-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 82798865

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide (CID 82798762) is 3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide is CCCCC(CC)COc1ccc(/C(N)=N/O)cc1Br.
What is the InChIKey of 3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is UPRSSBZTOSSERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-3-5-6-11(4-2)10-20-14-8-7-12(9-13(14)16)15(17)18-19/h7-9,11,19H,3-6,10H2,1-2H3,(H2,17,18).
What are the key properties of 3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide?
3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 343.27 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82798762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).