2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide

C14H19BrN2O2 — CID 114883493

IUPAC2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1OC1CCCCCC1
InChIInChI=1S/C14H19BrN2O2/c15-11-8-5-9-12(13(11)14(16)17-18)19-10-6-3-1-2-4-7-10/h5,8-10,18H,1-4,6-7H2,(H2,16,17)
InChIKeyKANAVGLKKGEGMP-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.65
Rot. Bonds3

About 2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide

2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide (PubChem CID 114883493) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
PubChem CID114883493
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1OC1CCCCCC1
InChIInChI=1S/C14H19BrN2O2/c15-11-8-5-9-12(13(11)14(16)17-18)19-10-6-3-1-2-4-7-10/h5,8-10,18H,1-4,6-7H2,(H2,16,17)
InChIKeyKANAVGLKKGEGMP-UHFFFAOYSA-N
XLogP3.65
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.65
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-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 62496519
2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide
CID 114883519
2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
CID 114883406
3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide
CID 82800147
2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034372
2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide
CID 76945209
2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55233502
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-bromo-N'-hydroxybenzenecarboximidamide
CID 114883329
2-bromo-6-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883438
2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114883345
2-cycloheptyloxy-6-fluorobenzenecarbothioamide
CID 79519678
2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883247

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide (CID 114883493) is 2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1c(Br)cccc1OC1CCCCCC1.
What is the InChIKey of 2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is KANAVGLKKGEGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-11-8-5-9-12(13(11)14(16)17-18)19-10-6-3-1-2-4-7-10/h5,8-10,18H,1-4,6-7H2,(H2,16,17).
What are the key properties of 2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide?
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 327.22 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114883493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).