3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide

C15H15ClN2O2 — CID 76899298

IUPAC3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c16-13-10-12(15(17)18-19)6-7-14(13)20-9-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H2,17,18)
InChIKeyXBCJLMGAJFBVLR-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.06
Rot. Bonds5

About 3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide

3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide (PubChem CID 76899298) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide
PubChem CID76899298
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c16-13-10-12(15(17)18-19)6-7-14(13)20-9-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H2,17,18)
InChIKeyXBCJLMGAJFBVLR-UHFFFAOYSA-N
XLogP3.06
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.06
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
3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 61388852
3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 76984328
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786
3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708937
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820
3-chloro-4-[(2,3-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107306604
2-[(E)-[3-chloro-4-(2-phenylethoxy)phenyl]methylideneamino]guanidine
CID 87880605
3-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107881690
3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77067797
3-chloro-4-[(2,5-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77065131

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide (CID 76899298) is 3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide is NC(=NO)c1ccc(OCCc2ccccc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide?
The InChIKey is XBCJLMGAJFBVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-13-10-12(15(17)18-19)6-7-14(13)20-9-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H2,17,18).
What are the key properties of 3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide?
3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide has a molecular weight of 290.75 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide is sourced from PubChem (CID 76899298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).