6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide

C17H12ClFN4O — CID 109128752

IUPAC6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H12ClFN4O/c18-11-4-6-13(7-5-11)20-16-9-8-15(22-23-16)17(24)21-14-3-1-2-12(19)10-14/h1-10H,(H,20,23)(H,21,24)
InChIKeyYTAYAYYRUNDCBY-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.26
Rot. Bonds4

About 6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide

6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide (PubChem CID 109128752) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
PubChem CID109128752
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H12ClFN4O/c18-11-4-6-13(7-5-11)20-16-9-8-15(22-23-16)17(24)21-14-3-1-2-12(19)10-14/h1-10H,(H,20,23)(H,21,24)
InChIKeyYTAYAYYRUNDCBY-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

6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760
N-(4-cyanophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130101
methyl 3-[[6-(4-chloroanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128748
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide
CID 113049968
N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130088
6-(4-methylanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126943
methyl 3-[[6-[(4-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128785
methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109129957

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide (CID 109128752) is 6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(Nc2ccc(Cl)cc2)nn1.
What is the InChIKey of 6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide?
The InChIKey is YTAYAYYRUNDCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c18-11-4-6-13(7-5-11)20-16-9-8-15(22-23-16)17(24)21-14-3-1-2-12(19)10-14/h1-10H,(H,20,23)(H,21,24).
What are the key properties of 6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide?
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide 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 6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).