3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide

C14H20ClN3O2 — CID 102632381

IUPAC3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide
SMILESCN(c1ccc(/C(N)=N/O)cc1Cl)C1CCCCC1O
InChIInChI=1S/C14H20ClN3O2/c1-18(12-4-2-3-5-13(12)19)11-7-6-9(8-10(11)15)14(16)17-20/h6-8,12-13,19-20H,2-5H2,1H3,(H2,16,17)
InChIKeyKAJATZOVYMWLEI-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.17
Rot. Bonds3

About 3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide

3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide (PubChem CID 102632381) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide
PubChem CID102632381
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide
SMILESCN(c1ccc(/C(N)=N/O)cc1Cl)C1CCCCC1O
InChIInChI=1S/C14H20ClN3O2/c1-18(12-4-2-3-5-13(12)19)11-7-6-9(8-10(11)15)14(16)17-20/h6-8,12-13,19-20H,2-5H2,1H3,(H2,16,17)
InChIKeyKAJATZOVYMWLEI-UHFFFAOYSA-N
XLogP2.17
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.17
H-Bond Donors ≤ 53
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

3-fluoro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide
CID 102632369
3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76997661
3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76984358
3-chloro-4-[methyl-(2-methylcyclohexyl)amino]benzenecarbothioamide
CID 63520304
3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde
CID 102632644
3-chloro-N'-hydroxy-4-[(3-hydroxycyclobutyl)methyl-methylamino]benzenecarboximidamide
CID 77108514
3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398942
2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol
CID 102633855
3-chloro-4-[cyclopentyl(methyl)amino]benzenecarbothioamide
CID 63087274
5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide
CID 76944707
N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 102632392
3-chloro-4-(N,3-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 76984280

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide (CID 102632381) is 3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide is CN(c1ccc(/C(N)=N/O)cc1Cl)C1CCCCC1O.
What is the InChIKey of 3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide?
The InChIKey is KAJATZOVYMWLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-18(12-4-2-3-5-13(12)19)11-7-6-9(8-10(11)15)14(16)17-20/h6-8,12-13,19-20H,2-5H2,1H3,(H2,16,17).
What are the key properties of 3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide?
3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide has a molecular weight of 297.79 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide is sourced from PubChem (CID 102632381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).