N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide

C19H15FN4O2 — CID 113049056

IUPACN-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3cccc(F)c3)nn2)c1
InChIInChI=1S/C19H15FN4O2/c1-12(25)13-4-3-7-16(11-13)21-17-8-9-18(24-23-17)22-19(26)14-5-2-6-15(20)10-14/h2-11H,1H3,(H,21,23)(H,22,24,26)
InChIKeyPHIWSKWGYPHMCS-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.81
Rot. Bonds5

About N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide

N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide (PubChem CID 113049056) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
PubChem CID113049056
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC NameN-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3cccc(F)c3)nn2)c1
InChIInChI=1S/C19H15FN4O2/c1-12(25)13-4-3-7-16(11-13)21-17-8-9-18(24-23-17)22-19(26)14-5-2-6-15(20)10-14/h2-11H,1H3,(H,21,23)(H,22,24,26)
InChIKeyPHIWSKWGYPHMCS-UHFFFAOYSA-N
XLogP3.81
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide
CID 113049064
3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide
CID 113049968
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113048870
N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
CID 113049942
N-[6-(3-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113049047
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113049086
N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322454
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide (CID 113049056) is N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide is CC(=O)c1cccc(Nc2ccc(NC(=O)c3cccc(F)c3)nn2)c1.
What is the InChIKey of N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide?
The InChIKey is PHIWSKWGYPHMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-12(25)13-4-3-7-16(11-13)21-17-8-9-18(24-23-17)22-19(26)14-5-2-6-15(20)10-14/h2-11H,1H3,(H,21,23)(H,22,24,26).
What are the key properties of N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide?
N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide has a molecular weight of 350.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 113049056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).