3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide

C16H17ClN2O2 — CID 76929913

IUPAC3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESCCc1ccc(COc2ccc(C(N)=NO)cc2Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-2-11-3-5-12(6-4-11)10-21-15-8-7-13(9-14(15)17)16(18)19-20/h3-9,20H,2,10H2,1H3,(H2,18,19)
InChIKeyPMKRSQCKCSTIRY-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.58
Rot. Bonds5

About 3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide

3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 76929913) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID76929913
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESCCc1ccc(COc2ccc(C(N)=NO)cc2Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-2-11-3-5-12(6-4-11)10-21-15-8-7-13(9-14(15)17)16(18)19-20/h3-9,20H,2,10H2,1H3,(H2,18,19)
InChIKeyPMKRSQCKCSTIRY-UHFFFAOYSA-N
XLogP3.58
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.58
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

3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 76953401
3-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107881690
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786
3-chloro-4-[(2,5-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77065131
3-chloro-4-[(2,3-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107306604
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667619
3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 61388852
3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 76984328
3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide
CID 76899298
3-chloro-N'-hydroxy-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 76984471
4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 104797667

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 76929913) is 3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide is CCc1ccc(COc2ccc(C(N)=NO)cc2Cl)cc1.
What is the InChIKey of 3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is PMKRSQCKCSTIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-11-3-5-12(6-4-11)10-21-15-8-7-13(9-14(15)17)16(18)19-20/h3-9,20H,2,10H2,1H3,(H2,18,19).
What are the key properties of 3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 304.78 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76929913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).