2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide

C19H20ClN3O2 — CID 6065751

IUPAC2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide
SMILESC/C(Cc1ccccc1)=N\NC(=O)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c1-14(11-15-5-3-2-4-6-15)22-23-19(25)13-21-18(24)12-16-7-9-17(20)10-8-16/h2-10H,11-13H2,1H3,(H,21,24)(H,23,25)/b22-14+
InChIKeyDULIIBINJJDACZ-HYARGMPZSA-N
MW357.84 g/mol
LogP2.73
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide

2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide (PubChem CID 6065751) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide
PubChem CID6065751
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide
SMILESC/C(Cc1ccccc1)=N\NC(=O)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c1-14(11-15-5-3-2-4-6-15)22-23-19(25)13-21-18(24)12-16-7-9-17(20)10-8-16/h2-10H,11-13H2,1H3,(H,21,24)(H,23,25)/b22-14+
InChIKeyDULIIBINJJDACZ-HYARGMPZSA-N
XLogP2.73
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide (CID 6065751) is 2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide is C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide?
The InChIKey is DULIIBINJJDACZ-HYARGMPZSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-14(11-15-5-3-2-4-6-15)22-23-19(25)13-21-18(24)12-16-7-9-17(20)10-8-16/h2-10H,11-13H2,1H3,(H,21,24)(H,23,25)/b22-14+.
What are the key properties of 2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide has a molecular weight of 357.84 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide is sourced from PubChem (CID 6065751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).