N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide

C11H13ClN2O — CID 6011612

IUPACN-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
SMILESCC/C(=N/NC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O/c1-3-11(14-13-8(2)15)9-4-6-10(12)7-5-9/h4-7H,3H2,1-2H3,(H,13,15)/b14-11-
InChIKeyWIOLDQANFLCIJB-KAMYIIQDSA-N
MW224.69 g/mol
LogP2.59
Rot. Bonds3

About N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide

N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide (PubChem CID 6011612) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
PubChem CID6011612
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
SMILESCC/C(=N/NC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O/c1-3-11(14-13-8(2)15)9-4-6-10(12)7-5-9/h4-7H,3H2,1-2H3,(H,13,15)/b14-11-
InChIKeyWIOLDQANFLCIJB-KAMYIIQDSA-N
XLogP2.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide (CID 6011612) is N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide is CC/C(=N/NC(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide?
The InChIKey is WIOLDQANFLCIJB-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-3-11(14-13-8(2)15)9-4-6-10(12)7-5-9/h4-7H,3H2,1-2H3,(H,13,15)/b14-11-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide?
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide has a molecular weight of 224.69 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide is sourced from PubChem (CID 6011612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).