3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide

C12H11ClN2O3 — CID 76984328

IUPAC3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(OCc2ccco2)c(Cl)c1
InChIInChI=1S/C12H11ClN2O3/c13-10-6-8(12(14)15-16)3-4-11(10)18-7-9-2-1-5-17-9/h1-6,16H,7H2,(H2,14,15)
InChIKeyTUSHARBSGWVISA-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.61
Rot. Bonds4

About 3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide

3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 76984328) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID76984328
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(OCc2ccco2)c(Cl)c1
InChIInChI=1S/C12H11ClN2O3/c13-10-6-8(12(14)15-16)3-4-11(10)18-7-9-2-1-5-17-9/h1-6,16H,7H2,(H2,14,15)
InChIKeyTUSHARBSGWVISA-UHFFFAOYSA-N
XLogP2.61
TPSA80.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.61
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

3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 43188231
3-chloro-4-[(2,3-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107306604
3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 61388852
3-chloro-4-[(2,5-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77065131
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786
3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide
CID 76899298
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
3-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107881690
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667619
(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 78937702
4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 104797667

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide (CID 76984328) is 3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(OCc2ccco2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is TUSHARBSGWVISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-10-6-8(12(14)15-16)3-4-11(10)18-7-9-2-1-5-17-9/h1-6,16H,7H2,(H2,14,15).
What are the key properties of 3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide?
3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 266.68 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76984328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).