2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide

C19H18FN3OS — CID 6409407

IUPAC2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C19H18FN3OS/c1-12(2)21-17(24)11-25-19-16-6-4-3-5-15(16)18(22-23-19)13-7-9-14(20)10-8-13/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyJNOSAILLRUZZOV-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.05
Rot. Bonds5

About 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide

2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide (PubChem CID 6409407) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide
PubChem CID6409407
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C19H18FN3OS/c1-12(2)21-17(24)11-25-19-16-6-4-3-5-15(16)18(22-23-19)13-7-9-14(20)10-8-13/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyJNOSAILLRUZZOV-UHFFFAOYSA-N
XLogP4.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide 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-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide (CID 6409407) is 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide?
The InChIKey is JNOSAILLRUZZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-12(2)21-17(24)11-25-19-16-6-4-3-5-15(16)18(22-23-19)13-7-9-14(20)10-8-13/h3-10,12H,11H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide?
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide has a molecular weight of 355.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 6409407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).