4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide

C18H15FN4O — CID 113045599

IUPAC4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
SMILESCc1ccccc1Nc1ccc(NC(=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C18H15FN4O/c1-12-4-2-3-5-15(12)20-16-10-11-17(23-22-16)21-18(24)13-6-8-14(19)9-7-13/h2-11H,1H3,(H,20,22)(H,21,23,24)
InChIKeyTVOOXZLBFRTWEP-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.92
Rot. Bonds4

About 4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide

4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide (PubChem CID 113045599) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
PubChem CID113045599
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
SMILESCc1ccccc1Nc1ccc(NC(=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C18H15FN4O/c1-12-4-2-3-5-15(12)20-16-10-11-17(23-22-16)21-18(24)13-6-8-14(19)9-7-13/h2-11H,1H3,(H,20,22)(H,21,23,24)
InChIKeyTVOOXZLBFRTWEP-UHFFFAOYSA-N
XLogP3.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045593
ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113051053
4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051478
3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045604
N-[6-(2-methylanilino)pyridazin-3-yl]propanamide
CID 113045581
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide
CID 113049285
4-methyl-N-[5-(2-methylanilino)-2-pyridinyl]benzamide
CID 113031308
4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048626
ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
CID 113045640
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126778
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048623

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide (CID 113045599) is 4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide is Cc1ccccc1Nc1ccc(NC(=O)c2ccc(F)cc2)nn1.
What is the InChIKey of 4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide?
The InChIKey is TVOOXZLBFRTWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-12-4-2-3-5-15(12)20-16-10-11-17(23-22-16)21-18(24)13-6-8-14(19)9-7-13/h2-11H,1H3,(H,20,22)(H,21,23,24).
What are the key properties of 4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide?
4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide has a molecular weight of 322.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113045599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).