N-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide

C18H16FNO2 — CID 57412873

IUPACN-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide
SMILESC=C(c1ccc(F)cc1)N(CCC=O)C(=O)c1ccccc1
InChIInChI=1S/C18H16FNO2/c1-14(15-8-10-17(19)11-9-15)20(12-5-13-21)18(22)16-6-3-2-4-7-16/h2-4,6-11,13H,1,5,12H2
InChIKeyYMPUKRGLZBWMRY-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.53
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide

N-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide (PubChem CID 57412873) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide
PubChem CID57412873
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC NameN-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide
SMILESC=C(c1ccc(F)cc1)N(CCC=O)C(=O)c1ccccc1
InChIInChI=1S/C18H16FNO2/c1-14(15-8-10-17(19)11-9-15)20(12-5-13-21)18(22)16-6-3-2-4-7-16/h2-4,6-11,13H,1,5,12H2
InChIKeyYMPUKRGLZBWMRY-UHFFFAOYSA-N
XLogP3.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide (CID 57412873) is N-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide is C=C(c1ccc(F)cc1)N(CCC=O)C(=O)c1ccccc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide?
The InChIKey is YMPUKRGLZBWMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-14(15-8-10-17(19)11-9-15)20(12-5-13-21)18(22)16-6-3-2-4-7-16/h2-4,6-11,13H,1,5,12H2.
What are the key properties of N-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide?
N-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide has a molecular weight of 297.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethenyl]-N-(3-oxopropyl)benzamide is sourced from PubChem (CID 57412873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).