2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

C17H18FN5O2 — CID 2431976

IUPAC2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1F
InChIInChI=1S/C17H18FN5O2/c18-14-5-2-1-4-13(14)16(25)21-12-15(24)22-8-10-23(11-9-22)17-19-6-3-7-20-17/h1-7H,8-12H2,(H,21,25)
InChIKeyXUPWMOOBDUDBKV-UHFFFAOYSA-N
MW343.36 g/mol
LogP0.69
Rot. Bonds4

About 2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide (PubChem CID 2431976) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
PubChem CID2431976
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1F
InChIInChI=1S/C17H18FN5O2/c18-14-5-2-1-4-13(14)16(25)21-12-15(24)22-8-10-23(11-9-22)17-19-6-3-7-20-17/h1-7H,8-12H2,(H,21,25)
InChIKeyXUPWMOOBDUDBKV-UHFFFAOYSA-N
XLogP0.69
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide 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 2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide (CID 2431976) is 2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide is O=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is XUPWMOOBDUDBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c18-14-5-2-1-4-13(14)16(25)21-12-15(24)22-8-10-23(11-9-22)17-19-6-3-7-20-17/h1-7H,8-12H2,(H,21,25).
What are the key properties of 2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 343.36 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 2431976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).