2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide

C21H16ClFN6O — CID 122292158

IUPAC2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C21H16ClFN6O/c22-17-3-1-4-18(23)16(17)13-21(30)26-15-7-5-14(6-8-15)25-19-9-10-20(28-27-19)29-12-2-11-24-29/h1-12H,13H2,(H,25,27)(H,26,30)
InChIKeyUNKYKMDBBCPVKR-UHFFFAOYSA-N
MW422.85 g/mol
LogP4.38
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide (PubChem CID 122292158) has the molecular formula C21H16ClFN6O and a molecular weight of 422.85 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
PubChem CID122292158
Molecular FormulaC21H16ClFN6O
Molecular Weight422.85 g/mol
Exact Mass422.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C21H16ClFN6O/c22-17-3-1-4-18(23)16(17)13-21(30)26-15-7-5-14(6-8-15)25-19-9-10-20(28-27-19)29-12-2-11-24-29/h1-12H,13H2,(H,25,27)(H,26,30)
InChIKeyUNKYKMDBBCPVKR-UHFFFAOYSA-N
XLogP4.38
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.85
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide
CID 122292594
3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 122292138
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122292140
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122292130
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 70702543
2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 70702527
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28831544
2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317294
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
2-(2-chloro-6-fluorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2534187

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide (CID 122292158) is 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide is O=C(Cc1c(F)cccc1Cl)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
The InChIKey is UNKYKMDBBCPVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN6O/c22-17-3-1-4-18(23)16(17)13-21(30)26-15-7-5-14(6-8-15)25-19-9-10-20(28-27-19)29-12-2-11-24-29/h1-12H,13H2,(H,25,27)(H,26,30).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide has a molecular weight of 422.85 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 122292158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).