3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide

C12H15ClN2O2 — CID 77067797

IUPAC3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(OCC2CCC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c13-10-6-9(12(14)15-16)4-5-11(10)17-7-8-2-1-3-8/h4-6,8,16H,1-3,7H2,(H2,14,15)
InChIKeyQXJXYVZRKJZVBP-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.61
Rot. Bonds4

About 3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide

3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 77067797) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID77067797
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(OCC2CCC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c13-10-6-9(12(14)15-16)4-5-11(10)17-7-8-2-1-3-8/h4-6,8,16H,1-3,7H2,(H2,14,15)
InChIKeyQXJXYVZRKJZVBP-UHFFFAOYSA-N
XLogP2.61
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.61
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-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77124857
3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057918
3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362
3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 102667617
[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
CID 65459443
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
4-(cyclohexylmethoxy)-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide
CID 155663753
4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068953
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
3-chloro-4-[(2,5-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77065131
3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide
CID 76899298

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide (CID 77067797) is 3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(OCC2CCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is QXJXYVZRKJZVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-6-9(12(14)15-16)4-5-11(10)17-7-8-2-1-3-8/h4-6,8,16H,1-3,7H2,(H2,14,15).
What are the key properties of 3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide?
3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 254.72 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77067797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).