2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide

C22H17ClFN5O2 — CID 122306929

IUPAC2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide
SMILESCc1ncn(-c2ccc(Oc3ccc(NC(=O)c4ccc(F)cc4Cl)cc3)nn2)c1C
InChIInChI=1S/C22H17ClFN5O2/c1-13-14(2)29(12-25-13)20-9-10-21(28-27-20)31-17-6-4-16(5-7-17)26-22(30)18-8-3-15(24)11-19(18)23/h3-12H,1-2H3,(H,26,30)
InChIKeySEFABYYEEUMPPV-UHFFFAOYSA-N
MW437.86 g/mol
LogP5.12
Rot. Bonds5

About 2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide

2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide (PubChem CID 122306929) has the molecular formula C22H17ClFN5O2 and a molecular weight of 437.86 g/mol. Its IUPAC name is 2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide
PubChem CID122306929
Molecular FormulaC22H17ClFN5O2
Molecular Weight437.86 g/mol
Exact Mass437.11
IUPAC Name2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide
SMILESCc1ncn(-c2ccc(Oc3ccc(NC(=O)c4ccc(F)cc4Cl)cc3)nn2)c1C
InChIInChI=1S/C22H17ClFN5O2/c1-13-14(2)29(12-25-13)20-9-10-21(28-27-20)31-17-6-4-16(5-7-17)26-22(30)18-8-3-15(24)11-19(18)23/h3-12H,1-2H3,(H,26,30)
InChIKeySEFABYYEEUMPPV-UHFFFAOYSA-N
XLogP5.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.86
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122307107
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(trifluoromethoxy)benzamide
CID 122307129
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-fluoro-4-methoxybenzamide
CID 122307134
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 122307141
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-methoxybenzamide
CID 122306895
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-benzothiophene-2-carboxamide
CID 122307132
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]quinoline-2-carboxamide
CID 122307057
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
CID 122306878
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122307035
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pentoxybenzamide
CID 122307143
2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305771
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306527

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide (CID 122306929) is 2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide is Cc1ncn(-c2ccc(Oc3ccc(NC(=O)c4ccc(F)cc4Cl)cc3)nn2)c1C.
What is the InChIKey of 2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide?
The InChIKey is SEFABYYEEUMPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O2/c1-13-14(2)29(12-25-13)20-9-10-21(28-27-20)31-17-6-4-16(5-7-17)26-22(30)18-8-3-15(24)11-19(18)23/h3-12H,1-2H3,(H,26,30).
What are the key properties of 2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide?
2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide has a molecular weight of 437.86 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-fluorobenzamide is sourced from PubChem (CID 122306929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).