N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide

C18H19FN2O2 — CID 6083617

IUPACN-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(CC(=O)N/N=C\c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O2/c1-2-11-23-17-9-5-14(6-10-17)12-18(22)21-20-13-15-3-7-16(19)8-4-15/h3-10,13H,2,11-12H2,1H3,(H,21,22)/b20-13-
InChIKeyWVZHMZUCFMVVOL-MOSHPQCFSA-N
MW314.36 g/mol
LogP3.31
Rot. Bonds7

About N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide

N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide (PubChem CID 6083617) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide
PubChem CID6083617
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(CC(=O)N/N=C\c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O2/c1-2-11-23-17-9-5-14(6-10-17)12-18(22)21-20-13-15-3-7-16(19)8-4-15/h3-10,13H,2,11-12H2,1H3,(H,21,22)/b20-13-
InChIKeyWVZHMZUCFMVVOL-MOSHPQCFSA-N
XLogP3.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.31
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-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide?
The IUPAC name of N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide (CID 6083617) is N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide is CCCOc1ccc(CC(=O)N/N=C\c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide?
The InChIKey is WVZHMZUCFMVVOL-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-2-11-23-17-9-5-14(6-10-17)12-18(22)21-20-13-15-3-7-16(19)8-4-15/h3-10,13H,2,11-12H2,1H3,(H,21,22)/b20-13-.
What are the key properties of N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide?
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide has a molecular weight of 314.36 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 6083617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).