N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide

C18H15FN4O2 — CID 113047158

IUPACN-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccccc3F)nn2)c1
InChIInChI=1S/C18H15FN4O2/c1-25-13-6-4-5-12(11-13)18(24)21-17-10-9-16(22-23-17)20-15-8-3-2-7-14(15)19/h2-11H,1H3,(H,20,22)(H,21,23,24)
InChIKeyBFXGVYYANDYZPW-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.62
Rot. Bonds5

About N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide

N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide (PubChem CID 113047158) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide
PubChem CID113047158
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccccc3F)nn2)c1
InChIInChI=1S/C18H15FN4O2/c1-25-13-6-4-5-12(11-13)18(24)21-17-10-9-16(22-23-17)20-15-8-3-2-7-14(15)19/h2-11H,1H3,(H,20,22)(H,21,23,24)
InChIKeyBFXGVYYANDYZPW-UHFFFAOYSA-N
XLogP3.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide 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

3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045604
3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051480
N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046648
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046357
N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide
CID 113047134
6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128356
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113023123
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097
N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113050053
methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049352

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide (CID 113047158) is N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(Nc3ccccc3F)nn2)c1.
What is the InChIKey of N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide?
The InChIKey is BFXGVYYANDYZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-25-13-6-4-5-12(11-13)18(24)21-17-10-9-16(22-23-17)20-15-8-3-2-7-14(15)19/h2-11H,1H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide?
N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide has a molecular weight of 338.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 113047158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).