2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide

C15H15ClN2O2 — CID 114323317

IUPAC2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
SMILESCc1ccc(COc2cccc(Cl)c2/C(N)=N/O)cc1
InChIInChI=1S/C15H15ClN2O2/c1-10-5-7-11(8-6-10)9-20-13-4-2-3-12(16)14(13)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyMWRWNNYGPRMVSG-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.32
Rot. Bonds4

About 2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide

2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide (PubChem CID 114323317) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
PubChem CID114323317
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
SMILESCc1ccc(COc2cccc(Cl)c2/C(N)=N/O)cc1
InChIInChI=1S/C15H15ClN2O2/c1-10-5-7-11(8-6-10)9-20-13-4-2-3-12(16)14(13)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyMWRWNNYGPRMVSG-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

2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323309
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
2-chloro-N'-hydroxy-6-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 114323249
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137
2-chloro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 76944983
2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 55079423
4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 76953401
2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114323283
2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
2-fluoro-N'-hydroxy-6-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 74881945
2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 113277003
2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997687

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide (CID 114323317) is 2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide is Cc1ccc(COc2cccc(Cl)c2/C(N)=N/O)cc1.
What is the InChIKey of 2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide?
The InChIKey is MWRWNNYGPRMVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-5-7-11(8-6-10)9-20-13-4-2-3-12(16)14(13)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide?
2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide 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 2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 114323317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).