2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide

C18H14ClFN4O — CID 50946377

IUPAC2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nn1
InChIInChI=1S/C18H14ClFN4O/c1-11-2-9-17(24-23-11)21-13-4-6-14(7-5-13)22-18(25)15-8-3-12(20)10-16(15)19/h2-10H,1H3,(H,21,24)(H,22,25)
InChIKeyRKGCPKZJDSMODC-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.57
Rot. Bonds4

About 2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide

2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide (PubChem CID 50946377) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
PubChem CID50946377
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nn1
InChIInChI=1S/C18H14ClFN4O/c1-11-2-9-17(24-23-11)21-13-4-6-14(7-5-13)22-18(25)15-8-3-12(20)10-16(15)19/h2-10H,1H3,(H,21,24)(H,22,25)
InChIKeyRKGCPKZJDSMODC-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

Analyze 2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide 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-chloro-4-fluoro-N-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 42474385
2-chloro-N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-4-fluorobenzamide
CID 42474455
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
2-chloro-4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 121032340
2-chloro-4-fluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43110853
2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576304
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
CID 56699999

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide (CID 50946377) is 2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide is Cc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nn1.
What is the InChIKey of 2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide?
The InChIKey is RKGCPKZJDSMODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-11-2-9-17(24-23-11)21-13-4-6-14(7-5-13)22-18(25)15-8-3-12(20)10-16(15)19/h2-10H,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide?
2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide 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 2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide is sourced from PubChem (CID 50946377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).