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

C17H12ClFN4O — CID 113047175

IUPAC2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2F)nn1)c1ccccc1Cl
InChIInChI=1S/C17H12ClFN4O/c18-12-6-2-1-5-11(12)17(24)21-16-10-9-15(22-23-16)20-14-8-4-3-7-13(14)19/h1-10H,(H,20,22)(H,21,23,24)
InChIKeyNQRHPYYDFIAGDW-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.26
Rot. Bonds4

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

2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide (PubChem CID 113047175) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide
PubChem CID113047175
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2F)nn1)c1ccccc1Cl
InChIInChI=1S/C17H12ClFN4O/c18-12-6-2-1-5-11(12)17(24)21-16-10-9-15(22-23-16)20-14-8-4-3-7-13(14)19/h1-10H,(H,20,22)(H,21,23,24)
InChIKeyNQRHPYYDFIAGDW-UHFFFAOYSA-N
XLogP4.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide
CID 113047552
N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide
CID 113047134
methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049347
N-[6-(2-fluoroanilino)pyridazin-3-yl]butanamide
CID 113047136
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109119919
N-(2-chlorophenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109128642
N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128353
2-chloro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048567
N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113047158
2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041470
6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128181

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide (CID 113047175) is 2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(Nc2ccccc2F)nn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide?
The InChIKey is NQRHPYYDFIAGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c18-12-6-2-1-5-11(12)17(24)21-16-10-9-15(22-23-16)20-14-8-4-3-7-13(14)19/h1-10H,(H,20,22)(H,21,23,24).
What are the key properties of 2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide?
2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide has a molecular weight of 342.76 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113047175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).