3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide

C13H17ClN2O3 — CID 77057918

IUPAC3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCCC2CCCO2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c14-11-8-9(13(15)16-17)3-4-12(11)19-7-5-10-2-1-6-18-10/h3-4,8,10,17H,1-2,5-7H2,(H2,15,16)
InChIKeyBLWHIXPHPDUQII-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.38
Rot. Bonds5

About 3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide

3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide (PubChem CID 77057918) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
PubChem CID77057918
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCCC2CCCO2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c14-11-8-9(13(15)16-17)3-4-12(11)19-7-5-10-2-1-6-18-10/h3-4,8,10,17H,1-2,5-7H2,(H2,15,16)
InChIKeyBLWHIXPHPDUQII-UHFFFAOYSA-N
XLogP2.38
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.38
H-Bond Donors ≤ 52
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

N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057898
3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77067797
4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarbothioamide
CID 113277364
3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide
CID 76899298
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820
2-[5-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65164179
1-[3-chloro-4-[3-(oxolan-2-yl)propoxy]phenyl]propan-2-amine
CID 65164688
3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 76984328
2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 113277398
4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 113277413
3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline
CID 65159099
3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 107716147

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide (CID 77057918) is 3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide is NC(=NO)c1ccc(OCCC2CCCO2)c(Cl)c1.
What is the InChIKey of 3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
The InChIKey is BLWHIXPHPDUQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-11-8-9(13(15)16-17)3-4-12(11)19-7-5-10-2-1-6-18-10/h3-4,8,10,17H,1-2,5-7H2,(H2,15,16).
What are the key properties of 3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide has a molecular weight of 284.74 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 77057918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).