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

C17H12ClFN4O — CID 113049968

IUPAC3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(Nc2cccc(F)c2)nn1)c1cccc(Cl)c1
InChIInChI=1S/C17H12ClFN4O/c18-12-4-1-3-11(9-12)17(24)21-16-8-7-15(22-23-16)20-14-6-2-5-13(19)10-14/h1-10H,(H,20,22)(H,21,23,24)
InChIKeyIPXBDWXGWHHDQS-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.26
Rot. Bonds4

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

3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide (PubChem CID 113049968) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide
PubChem CID113049968
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(Nc2cccc(F)c2)nn1)c1cccc(Cl)c1
InChIInChI=1S/C17H12ClFN4O/c18-12-4-1-3-11(9-12)17(24)21-16-8-7-15(22-23-16)20-14-6-2-5-13(19)10-14/h1-10H,(H,20,22)(H,21,23,24)
InChIKeyIPXBDWXGWHHDQS-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

N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047474
3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide
CID 113045730
N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113049056
N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
CID 113049942
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113048870
3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 110872324
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041381
N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322466

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide (CID 113049968) is 3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(Nc2cccc(F)c2)nn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide?
The InChIKey is IPXBDWXGWHHDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c18-12-4-1-3-11(9-12)17(24)21-16-8-7-15(22-23-16)20-14-6-2-5-13(19)10-14/h1-10H,(H,20,22)(H,21,23,24).
What are the key properties of 3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide?
3-chloro-N-[6-(3-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 3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113049968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).