N-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide

C20H24FN3O2 — CID 170368471

IUPACN-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
SMILESCC1CC(N(F)C(=O)Cn2nc(C(C)C)c(-c3ccccc3)cc2=O)C1
InChIInChI=1S/C20H24FN3O2/c1-13(2)20-17(15-7-5-4-6-8-15)11-18(25)23(22-20)12-19(26)24(21)16-9-14(3)10-16/h4-8,11,13-14,16H,9-10,12H2,1-3H3
InChIKeyOBUWPRQRUCDICR-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.55
Rot. Bonds5

About N-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide

N-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide (PubChem CID 170368471) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
PubChem CID170368471
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
SMILESCC1CC(N(F)C(=O)Cn2nc(C(C)C)c(-c3ccccc3)cc2=O)C1
InChIInChI=1S/C20H24FN3O2/c1-13(2)20-17(15-7-5-4-6-8-15)11-18(25)23(22-20)12-19(26)24(21)16-9-14(3)10-16/h4-8,11,13-14,16H,9-10,12H2,1-3H3
InChIKeyOBUWPRQRUCDICR-UHFFFAOYSA-N
XLogP3.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide 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-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide (CID 170368471) is N-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide is CC1CC(N(F)C(=O)Cn2nc(C(C)C)c(-c3ccccc3)cc2=O)C1.
What is the InChIKey of N-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide?
The InChIKey is OBUWPRQRUCDICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-13(2)20-17(15-7-5-4-6-8-15)11-18(25)23(22-20)12-19(26)24(21)16-9-14(3)10-16/h4-8,11,13-14,16H,9-10,12H2,1-3H3.
What are the key properties of N-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide?
N-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide has a molecular weight of 357.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-(3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 170368471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).