4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide

C17H11ClFN3O2 — CID 1486255

IUPAC4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nn(-c2ccccc2)c(=O)cc1Cl
InChIInChI=1S/C17H11ClFN3O2/c18-14-10-15(23)22(13-4-2-1-3-5-13)21-16(14)17(24)20-12-8-6-11(19)7-9-12/h1-10H,(H,20,24)
InChIKeyOKEYEGFUDUETQP-UHFFFAOYSA-N
MW343.75 g/mol
LogP3.28
Rot. Bonds3

About 4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide

4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 1486255) has the molecular formula C17H11ClFN3O2 and a molecular weight of 343.75 g/mol. Its IUPAC name is 4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID1486255
Molecular FormulaC17H11ClFN3O2
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC Name4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nn(-c2ccccc2)c(=O)cc1Cl
InChIInChI=1S/C17H11ClFN3O2/c18-14-10-15(23)22(13-4-2-1-3-5-13)21-16(14)17(24)20-12-8-6-11(19)7-9-12/h1-10H,(H,20,24)
InChIKeyOKEYEGFUDUETQP-UHFFFAOYSA-N
XLogP3.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-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 4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of 4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide (CID 1486255) is 4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1nn(-c2ccccc2)c(=O)cc1Cl.
What is the InChIKey of 4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is OKEYEGFUDUETQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2/c18-14-10-15(23)22(13-4-2-1-3-5-13)21-16(14)17(24)20-12-8-6-11(19)7-9-12/h1-10H,(H,20,24).
What are the key properties of 4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 343.75 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 1486255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).