2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide

C18H16FN3OS — CID 6409016

IUPAC2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C18H16FN3OS/c1-22(2)16(23)11-24-18-15-6-4-3-5-14(15)17(20-21-18)12-7-9-13(19)10-8-12/h3-10H,11H2,1-2H3
InChIKeyJNFQYTPSYDIURV-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.62
Rot. Bonds4

About 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide

2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide (PubChem CID 6409016) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide
PubChem CID6409016
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C18H16FN3OS/c1-22(2)16(23)11-24-18-15-6-4-3-5-14(15)17(20-21-18)12-7-9-13(19)10-8-12/h3-10H,11H2,1-2H3
InChIKeyJNFQYTPSYDIURV-UHFFFAOYSA-N
XLogP3.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide (CID 6409016) is 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide is CN(C)C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide?
The InChIKey is JNFQYTPSYDIURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-22(2)16(23)11-24-18-15-6-4-3-5-14(15)17(20-21-18)12-7-9-13(19)10-8-12/h3-10H,11H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide?
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide has a molecular weight of 341.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 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,N-dimethylacetamide is sourced from PubChem (CID 6409016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).