3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide

C15H15ClN2O3 — CID 107708937

IUPAC3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccc(CCO)cc2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O3/c16-13-9-11(15(17)18-20)3-6-14(13)21-12-4-1-10(2-5-12)7-8-19/h1-6,9,19-20H,7-8H2,(H2,17,18)
InChIKeyXTVWZNXNHBFLPA-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.76
Rot. Bonds5

About 3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide

3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (PubChem CID 107708937) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
PubChem CID107708937
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccc(CCO)cc2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O3/c16-13-9-11(15(17)18-20)3-6-14(13)21-12-4-1-10(2-5-12)7-8-19/h1-6,9,19-20H,7-8H2,(H2,17,18)
InChIKeyXTVWZNXNHBFLPA-UHFFFAOYSA-N
XLogP2.76
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.76
H-Bond Donors ≤ 53
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

N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708950
3-chloro-4-(3,4-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76984195
3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide
CID 76899298
N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712587
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 136865767
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
3-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107881690
3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
CID 59556565
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786
3-chloro-N'-hydroxy-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 76984471

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (CID 107708937) is 3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is N/C(=N/O)c1ccc(Oc2ccc(CCO)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The InChIKey is XTVWZNXNHBFLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-13-9-11(15(17)18-20)3-6-14(13)21-12-4-1-10(2-5-12)7-8-19/h1-6,9,19-20H,7-8H2,(H2,17,18).
What are the key properties of 3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide has a molecular weight of 306.75 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 107708937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).