2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide

C9H11ClN2O2 — CID 77056910

IUPAC2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide
SMILESNC(COCc1cccc(Cl)c1)=NO
InChIInChI=1S/C9H11ClN2O2/c10-8-3-1-2-7(4-8)5-14-6-9(11)12-13/h1-4,13H,5-6H2,(H2,11,12)
InChIKeyXLCXDDNIWZVIGG-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.60
Rot. Bonds4

About 2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide

2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide (PubChem CID 77056910) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide
PubChem CID77056910
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide
SMILESNC(COCc1cccc(Cl)c1)=NO
InChIInChI=1S/C9H11ClN2O2/c10-8-3-1-2-7(4-8)5-14-6-9(11)12-13/h1-4,13H,5-6H2,(H2,11,12)
InChIKeyXLCXDDNIWZVIGG-UHFFFAOYSA-N
XLogP1.60
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.60
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-(3-chlorophenyl)-N'-hydroxyethanimidamide
CID 16775239
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone
CID 65126472
2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone
CID 65126522
4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253711
1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene
CID 65490546
2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole
CID 80607272
4-[(3-chlorophenyl)methoxy]but-2-en-1-amine
CID 77110729
N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide
CID 65125098
3-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027177
5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77030098
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide (CID 77056910) is 2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide is NC(COCc1cccc(Cl)c1)=NO.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide?
The InChIKey is XLCXDDNIWZVIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-8-3-1-2-7(4-8)5-14-6-9(11)12-13/h1-4,13H,5-6H2,(H2,11,12).
What are the key properties of 2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide?
2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide has a molecular weight of 214.65 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77056910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).