N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide

C25H19ClFN3O3 — CID 2030297

IUPACN-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(=O)c(C)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C25H19ClFN3O3/c1-15-23(31)22(16-3-7-18(26)8-4-16)24(30(29-15)20-11-9-19(27)10-12-20)28-25(32)17-5-13-21(33-2)14-6-17/h3-14H,1-2H3,(H,28,32)
InChIKeyFAVQDURRPADXHN-UHFFFAOYSA-N
MW463.90 g/mol
LogP5.26
Rot. Bonds5

About N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide

N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide (PubChem CID 2030297) has the molecular formula C25H19ClFN3O3 and a molecular weight of 463.90 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
PubChem CID2030297
Molecular FormulaC25H19ClFN3O3
Molecular Weight463.90 g/mol
Exact Mass463.11
IUPAC NameN-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(=O)c(C)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C25H19ClFN3O3/c1-15-23(31)22(16-3-7-18(26)8-4-16)24(30(29-15)20-11-9-19(27)10-12-20)28-25(32)17-5-13-21(33-2)14-6-17/h3-14H,1-2H3,(H,28,32)
InChIKeyFAVQDURRPADXHN-UHFFFAOYSA-N
XLogP5.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.90
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide 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

N-[2-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
CID 2035296
4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide
CID 2031982
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide
CID 46334908
N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide
CID 2035531
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-phenylbenzamide
CID 46334913
4-chloro-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3352139
4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11863869
4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
CID 4172115
4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide
CID 46334938
4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide
CID 46334959
1-(4-chlorophenyl)-N,5-bis(4-fluorophenyl)-1,2,4-triazole-3-carboxamide
CID 124786561
N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033424

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide (CID 2030297) is N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(=O)c(C)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide?
The InChIKey is FAVQDURRPADXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3O3/c1-15-23(31)22(16-3-7-18(26)8-4-16)24(30(29-15)20-11-9-19(27)10-12-20)28-25(32)17-5-13-21(33-2)14-6-17/h3-14H,1-2H3,(H,28,32).
What are the key properties of N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide?
N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide has a molecular weight of 463.90 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 2030297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).