3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide

C15H15ClN2O2 — CID 43185939

IUPAC3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(OCc2cccc(/C(N)=N/O)c2)ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-7-13(5-6-14(10)16)20-9-11-3-2-4-12(8-11)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyFYNGJWIVAPXJHC-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.32
Rot. Bonds4

About 3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide

3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 43185939) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID43185939
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(OCc2cccc(/C(N)=N/O)c2)ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-7-13(5-6-14(10)16)20-9-11-3-2-4-12(8-11)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyFYNGJWIVAPXJHC-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

N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055
3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76909555
3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24702087
3-[(2-chloro-6-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83050359
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide
CID 43176403
4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83141030
4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483210
3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403778
3-[3-[(4-chloro-3-methylphenoxy)methyl]phenyl]prop-2-enoic acid
CID 76996015
3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43128365
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide (CID 43185939) is 3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide is Cc1cc(OCc2cccc(/C(N)=N/O)c2)ccc1Cl.
What is the InChIKey of 3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FYNGJWIVAPXJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-7-13(5-6-14(10)16)20-9-11-3-2-4-12(8-11)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
3-[(4-chloro-3-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 3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43185939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).