N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide

C18H14ClFN4O — CID 109128462

IUPACN-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C18H14ClFN4O/c1-11-14(19)3-2-4-15(11)22-18(25)16-9-10-17(24-23-16)21-13-7-5-12(20)6-8-13/h2-10H,1H3,(H,21,24)(H,22,25)
InChIKeyPSXLFNYYLNQCOG-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.57
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide

N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide (PubChem CID 109128462) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
PubChem CID109128462
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC NameN-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C18H14ClFN4O/c1-11-14(19)3-2-4-15(11)22-18(25)16-9-10-17(24-23-16)21-13-7-5-12(20)6-8-13/h2-10H,1H3,(H,21,24)(H,22,25)
InChIKeyPSXLFNYYLNQCOG-UHFFFAOYSA-N
XLogP4.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109128614
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 54927236
N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128508
N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109128635
methyl 4-[[6-[(2-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128634
N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128469
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113018688
N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128821
5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109199329
N-(2-chlorophenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109128642
N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 109119458

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide (CID 109128462) is N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc(Nc2ccc(F)cc2)nn1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide?
The InChIKey is PSXLFNYYLNQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-11-14(19)3-2-4-15(11)22-18(25)16-9-10-17(24-23-16)21-13-7-5-12(20)6-8-13/h2-10H,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).