4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide

C11H15ClN2O2 — CID 77056923

IUPAC4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide
SMILESNC(CCCOCc1ccc(Cl)cc1)=NO
InChIInChI=1S/C11H15ClN2O2/c12-10-5-3-9(4-6-10)8-16-7-1-2-11(13)14-15/h3-6,15H,1-2,7-8H2,(H2,13,14)
InChIKeyRBUTVGWIAPQDPA-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.38
Rot. Bonds6

About 4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide

4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide (PubChem CID 77056923) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide
PubChem CID77056923
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide
SMILESNC(CCCOCc1ccc(Cl)cc1)=NO
InChIInChI=1S/C11H15ClN2O2/c12-10-5-3-9(4-6-10)8-16-7-1-2-11(13)14-15/h3-6,15H,1-2,7-8H2,(H2,13,14)
InChIKeyRBUTVGWIAPQDPA-UHFFFAOYSA-N
XLogP2.38
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-chlorophenyl)-N'-hydroxybutanimidamide
CID 156545661
N'-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanimidamide
CID 54965654
3-(4-chlorophenyl)-N'-hydroxypropanimidamide
CID 91810227
ethyl 4-[(4-chlorophenyl)methoxy]butanoate
CID 71343720
4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide
CID 77032070
6-[(4-chlorophenyl)methoxy]hexan-2-one
CID 65126289
4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide
CID 24697005
N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide
CID 109374643
5-(2,5-dichlorophenoxy)-N'-hydroxypentanimidamide
CID 109374706
4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43267729
4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine
CID 65125313
3-[(2-chlorophenyl)methoxy]-N'-hydroxypropanimidamide
CID 24694095

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide (CID 77056923) is 4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide is NC(CCCOCc1ccc(Cl)cc1)=NO.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide?
The InChIKey is RBUTVGWIAPQDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-10-5-3-9(4-6-10)8-16-7-1-2-11(13)14-15/h3-6,15H,1-2,7-8H2,(H2,13,14).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide?
4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide has a molecular weight of 242.71 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77056923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).