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

C15H15ClN2O2 — CID 114483210

IUPAC4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1COc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-7-11(15(17)18-19)5-6-12(10)9-20-14-4-2-3-13(16)8-14/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyOTBOTRGXNMNGAH-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.32
Rot. Bonds4

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

4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 114483210) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID114483210
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1COc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-7-11(15(17)18-19)5-6-12(10)9-20-14-4-2-3-13(16)8-14/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyOTBOTRGXNMNGAH-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-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483201
4-[(3,5-dimethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483204
4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483245
N'-hydroxy-3-methyl-4-[(4-methylsulfanylphenoxy)methyl]benzenecarboximidamide
CID 114483292
3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24702087
N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide
CID 114483267
3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76909555
4-[(3-methoxyphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482204
4-[(2,4-dibromophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483303
3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656853
3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185939
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 114483210) is 4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cc(/C(N)=N/O)ccc1COc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is OTBOTRGXNMNGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-7-11(15(17)18-19)5-6-12(10)9-20-14-4-2-3-13(16)8-14/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
4-[(3-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-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).