4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide

C16H16FN3O2 — CID 136664769

IUPAC4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide
SMILESCc1cc(C(=O)NC2CC(c3cc(=O)[nH]cn3)C2)ccc1F
InChIInChI=1S/C16H16FN3O2/c1-9-4-10(2-3-13(9)17)16(22)20-12-5-11(6-12)14-7-15(21)19-8-18-14/h2-4,7-8,11-12H,5-6H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyPVVMPHRENINSCW-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.89
Rot. Bonds3

About 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide

4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide (PubChem CID 136664769) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide
PubChem CID136664769
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide
SMILESCc1cc(C(=O)NC2CC(c3cc(=O)[nH]cn3)C2)ccc1F
InChIInChI=1S/C16H16FN3O2/c1-9-4-10(2-3-13(9)17)16(22)20-12-5-11(6-12)14-7-15(21)19-8-18-14/h2-4,7-8,11-12H,5-6H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyPVVMPHRENINSCW-UHFFFAOYSA-N
XLogP1.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]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 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide (CID 136664769) is 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide is Cc1cc(C(=O)NC2CC(c3cc(=O)[nH]cn3)C2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide?
The InChIKey is PVVMPHRENINSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-9-4-10(2-3-13(9)17)16(22)20-12-5-11(6-12)14-7-15(21)19-8-18-14/h2-4,7-8,11-12H,5-6H2,1H3,(H,20,22)(H,18,19,21).
What are the key properties of 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide?
4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide has a molecular weight of 301.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide is sourced from PubChem (CID 136664769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).