N-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide

C25H16FN3O2S — CID 2360779

IUPACN-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1)c1cccs1
InChIInChI=1S/C25H16FN3O2S/c26-17-9-7-16(8-10-17)23-20-4-1-2-5-21(20)25(29-28-23)31-19-13-11-18(12-14-19)27-24(30)22-6-3-15-32-22/h1-15H,(H,27,30)
InChIKeyNFCWCRNWWWKVHB-UHFFFAOYSA-N
MW441.49 g/mol
LogP6.54
Rot. Bonds5

About N-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide

N-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide (PubChem CID 2360779) has the molecular formula C25H16FN3O2S and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide
PubChem CID2360779
Molecular FormulaC25H16FN3O2S
Molecular Weight441.49 g/mol
Exact Mass441.09
IUPAC NameN-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1)c1cccs1
InChIInChI=1S/C25H16FN3O2S/c26-17-9-7-16(8-10-17)23-20-4-1-2-5-21(20)25(29-28-23)31-19-13-11-18(12-14-19)27-24(30)22-6-3-15-32-22/h1-15H,(H,27,30)
InChIKeyNFCWCRNWWWKVHB-UHFFFAOYSA-N
XLogP6.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide 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-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide (CID 2360779) is N-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1)c1cccs1.
What is the InChIKey of N-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide?
The InChIKey is NFCWCRNWWWKVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN3O2S/c26-17-9-7-16(8-10-17)23-20-4-1-2-5-21(20)25(29-28-23)31-19-13-11-18(12-14-19)27-24(30)22-6-3-15-32-22/h1-15H,(H,27,30).
What are the key properties of N-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide?
N-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluorophenyl)phthalazin-1-yl]oxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2360779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).