N-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide

C15H13ClN2O2 — CID 6870875

IUPACN-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1
InChIInChI=1S/C15H13ClN2O2/c16-13-6-8-14(9-7-13)20-11-15(19)18-17-10-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)/b17-10+
InChIKeySXVAUSGNZCCPIJ-LICLKQGHSA-N
MW288.73 g/mol
LogP2.87
Rot. Bonds5

About N-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide

N-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide (PubChem CID 6870875) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide
PubChem CID6870875
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC NameN-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1
InChIInChI=1S/C15H13ClN2O2/c16-13-6-8-14(9-7-13)20-11-15(19)18-17-10-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)/b17-10+
InChIKeySXVAUSGNZCCPIJ-LICLKQGHSA-N
XLogP2.87
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.87
H-Bond Donors ≤ 51
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 N-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide (CID 6870875) is N-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide?
The InChIKey is SXVAUSGNZCCPIJ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-13-6-8-14(9-7-13)20-11-15(19)18-17-10-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)/b17-10+.
What are the key properties of N-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide?
N-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide has a molecular weight of 288.73 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 6870875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).