4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide

C15H15ClN2O2 — CID 114483201

IUPAC4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1COc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-10-8-11(15(17)18-19)2-3-12(10)9-20-14-6-4-13(16)5-7-14/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeySWYBMGJPGHRGIC-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.32
Rot. Bonds4

About 4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide

4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 114483201) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID114483201
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1COc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-10-8-11(15(17)18-19)2-3-12(10)9-20-14-6-4-13(16)5-7-14/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeySWYBMGJPGHRGIC-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

4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483210
4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483245
N'-hydroxy-3-methyl-4-[(4-methylsulfanylphenoxy)methyl]benzenecarboximidamide
CID 114483292
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
4-[(3,5-dimethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483204
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide
CID 114483267
4-[(3,4-difluorophenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43554799
4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43185385
4-[(2,4-dibromophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483303
3-fluoro-N'-hydroxy-4-(phenoxymethyl)benzenecarboximidamide
CID 24708255
4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483296

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 114483201) is 4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cc(/C(N)=N/O)ccc1COc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is SWYBMGJPGHRGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-8-11(15(17)18-19)2-3-12(10)9-20-14-6-4-13(16)5-7-14/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide 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-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).