4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide

C15H15ClN2O3 — CID 76984860

IUPAC4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
SMILESCOc1cccc(COc2cc(Cl)ccc2C(N)=NO)c1
InChIInChI=1S/C15H15ClN2O3/c1-20-12-4-2-3-10(7-12)9-21-14-8-11(16)5-6-13(14)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyAJNPEPIOUDWFKS-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.02
Rot. Bonds5

About 4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide

4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide (PubChem CID 76984860) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
PubChem CID76984860
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
SMILESCOc1cccc(COc2cc(Cl)ccc2C(N)=NO)c1
InChIInChI=1S/C15H15ClN2O3/c1-20-12-4-2-3-10(7-12)9-21-14-8-11(16)5-6-13(14)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyAJNPEPIOUDWFKS-UHFFFAOYSA-N
XLogP3.02
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-bromo-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 114904191
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarbothioamide
CID 63093520
4-chloro-N'-hydroxy-2-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 114323334
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107278882
4-chloro-2-[(2,6-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323357
4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114930346
2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 114323375
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
4-chloro-N'-hydroxy-2-(3-methylphenoxy)benzenecarboximidamide
CID 76984915

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide (CID 76984860) is 4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide is COc1cccc(COc2cc(Cl)ccc2C(N)=NO)c1.
What is the InChIKey of 4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide?
The InChIKey is AJNPEPIOUDWFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-20-12-4-2-3-10(7-12)9-21-14-8-11(16)5-6-13(14)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide?
4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide has a molecular weight of 306.75 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 76984860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).