(1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride

C15H14ClNO — CID 58076264

IUPAC(1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride
SMILESO/N=C(\Cl)Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H14ClNO/c16-15(17-18)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,18H,10-11H2/b17-15-
InChIKeyKRLXTRMZFXUUNB-ICFOKQHNSA-N
MW259.74 g/mol
LogP3.85
Rot. Bonds4

About (1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride

(1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride (PubChem CID 58076264) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is (1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride.

Molecular Properties

Compound Name(1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride
PubChem CID58076264
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name(1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride
SMILESO/N=C(\Cl)Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H14ClNO/c16-15(17-18)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,18H,10-11H2/b17-15-
InChIKeyKRLXTRMZFXUUNB-ICFOKQHNSA-N
XLogP3.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride?
The IUPAC name of (1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride (CID 58076264) is (1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride.
What is the SMILES notation for (1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride?
The canonical SMILES for (1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride is O/N=C(\Cl)Cc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of (1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride?
The InChIKey is KRLXTRMZFXUUNB-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-15(17-18)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,18H,10-11H2/b17-15-.
What are the key properties of (1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride?
(1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride has a molecular weight of 259.74 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride is sourced from PubChem (CID 58076264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).