N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide

C15H14FN3O3 — CID 46934722

IUPACN-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide
SMILESO=C(NC/C=C\Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O3/c16-12-5-3-11(4-6-12)14(21)17-8-1-2-9-19-10-7-13(20)18-15(19)22/h1-7,10H,8-9H2,(H,17,21)(H,18,20,22)/b2-1-
InChIKeyWYNQKSSMYJEICL-UPHRSURJSA-N
MW303.29 g/mol
LogP0.66
Rot. Bonds5

About N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide

N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide (PubChem CID 46934722) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide
PubChem CID46934722
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC NameN-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide
SMILESO=C(NC/C=C\Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O3/c16-12-5-3-11(4-6-12)14(21)17-8-1-2-9-19-10-7-13(20)18-15(19)22/h1-7,10H,8-9H2,(H,17,21)(H,18,20,22)/b2-1-
InChIKeyWYNQKSSMYJEICL-UPHRSURJSA-N
XLogP0.66
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide (CID 46934722) is N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide is O=C(NC/C=C\Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide?
The InChIKey is WYNQKSSMYJEICL-UPHRSURJSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-12-5-3-11(4-6-12)14(21)17-8-1-2-9-19-10-7-13(20)18-15(19)22/h1-7,10H,8-9H2,(H,17,21)(H,18,20,22)/b2-1-.
What are the key properties of N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide?
N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide has a molecular weight of 303.29 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]-4-fluorobenzamide is sourced from PubChem (CID 46934722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).