N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide

C18H19ClN2O2 — CID 5410624

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-2-3-14-6-10-17(11-7-14)23-13-18(22)21-20-12-15-4-8-16(19)9-5-15/h4-12H,2-3,13H2,1H3,(H,21,22)/b20-12+
InChIKeyPDFYKSDNTSKYFL-UDWIEESQSA-N
MW330.82 g/mol
LogP3.82
Rot. Bonds7

About N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide

N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide (PubChem CID 5410624) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
PubChem CID5410624
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-2-3-14-6-10-17(11-7-14)23-13-18(22)21-20-12-15-4-8-16(19)9-5-15/h4-12H,2-3,13H2,1H3,(H,21,22)/b20-12+
InChIKeyPDFYKSDNTSKYFL-UDWIEESQSA-N
XLogP3.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.82
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)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide (CID 5410624) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The InChIKey is PDFYKSDNTSKYFL-UDWIEESQSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-2-3-14-6-10-17(11-7-14)23-13-18(22)21-20-12-15-4-8-16(19)9-5-15/h4-12H,2-3,13H2,1H3,(H,21,22)/b20-12+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 5410624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).