2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide

C9H11ClN2O2 — CID 76945151

IUPAC2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
SMILESCCOc1cccc(Cl)c1C(N)=NO
InChIInChI=1S/C9H11ClN2O2/c1-2-14-7-5-3-4-6(10)8(7)9(11)12-13/h3-5,13H,2H2,1H3,(H2,11,12)
InChIKeyXNWRVTDTFGWQBZ-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.83
Rot. Bonds3

About 2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide

2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide (PubChem CID 76945151) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
PubChem CID76945151
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
SMILESCCOc1cccc(Cl)c1C(N)=NO
InChIInChI=1S/C9H11ClN2O2/c1-2-14-7-5-3-4-6(10)8(7)9(11)12-13/h3-5,13H,2H2,1H3,(H2,11,12)
InChIKeyXNWRVTDTFGWQBZ-UHFFFAOYSA-N
XLogP1.83
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.83
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-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137
2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 55079423
2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
CID 114323317
2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323309
2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 76944983
2-chloro-6-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76999537
2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
2-chloro-N'-hydroxy-6-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 114323249
2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114323283
2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 62496519
2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
CID 106597229
2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997687

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide (CID 76945151) is 2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide is CCOc1cccc(Cl)c1C(N)=NO.
What is the InChIKey of 2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is XNWRVTDTFGWQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-2-14-7-5-3-4-6(10)8(7)9(11)12-13/h3-5,13H,2H2,1H3,(H2,11,12).
What are the key properties of 2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide?
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 214.65 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76945151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).