4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide

C15H15ClN2O2 — CID 76953401

IUPAC4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(OCc2ccc(C(N)=NO)cc2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-2-7-14(13(16)8-10)20-9-11-3-5-12(6-4-11)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyOZZZUZHORSLYDE-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.32
Rot. Bonds4

About 4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide

4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 76953401) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID76953401
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(OCc2ccc(C(N)=NO)cc2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-2-7-14(13(16)8-10)20-9-11-3-5-12(6-4-11)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyOZZZUZHORSLYDE-UHFFFAOYSA-N
XLogP3.32
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.32
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

3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
3-chloro-4-[(2-chloro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667635
3-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107881690
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786
2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
CID 114323317
4-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 59391367
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667619
2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63535207
3-chloro-4-[(2,5-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77065131
4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028751
3-chloro-4-[(3,5-dimethylphenyl)methoxy]benzenecarbothioamide
CID 61389078

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide (CID 76953401) is 4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide is Cc1ccc(OCc2ccc(C(N)=NO)cc2)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is OZZZUZHORSLYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-2-7-14(13(16)8-10)20-9-11-3-5-12(6-4-11)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 290.75 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76953401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).