(1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride

C16H16ClNO — CID 58076259

IUPAC(1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride
SMILESO/N=C(\Cl)Cc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C16H16ClNO/c17-16(18-19)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,19H,6-7,12H2/b18-16-
InChIKeyLXZISQSFTSVMOF-VLGSPTGOSA-N
MW273.76 g/mol
LogP4.04
Rot. Bonds5

About (1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride

(1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride (PubChem CID 58076259) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride
PubChem CID58076259
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride
SMILESO/N=C(\Cl)Cc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C16H16ClNO/c17-16(18-19)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,19H,6-7,12H2/b18-16-
InChIKeyLXZISQSFTSVMOF-VLGSPTGOSA-N
XLogP4.04
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.04
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'}

Analyze (1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride?
The IUPAC name of (1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride (CID 58076259) is (1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride.
What is the SMILES notation for (1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride?
The canonical SMILES for (1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride is O/N=C(\Cl)Cc1ccc(CCc2ccccc2)cc1.
What is the InChIKey of (1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride?
The InChIKey is LXZISQSFTSVMOF-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-16(18-19)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,19H,6-7,12H2/b18-16-.
What are the key properties of (1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride?
(1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride has a molecular weight of 273.76 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-hydroxy-2-[4-(2-phenylethyl)phenyl]ethanimidoyl chloride is sourced from PubChem (CID 58076259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).