4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one

C19H16ClF2N3O2 — CID 9113848

IUPAC4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one
SMILESCN(Cc1ccc(OC(F)F)cc1)c1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C19H16ClF2N3O2/c1-24(12-13-7-9-15(10-8-13)27-19(21)22)16-11-23-25(18(26)17(16)20)14-5-3-2-4-6-14/h2-11,19H,12H2,1H3
InChIKeyURELSQVXAYAMMC-UHFFFAOYSA-N
MW391.81 g/mol
LogP4.12
Rot. Bonds6

About 4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one

4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one (PubChem CID 9113848) has the molecular formula C19H16ClF2N3O2 and a molecular weight of 391.81 g/mol. Its IUPAC name is 4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one
PubChem CID9113848
Molecular FormulaC19H16ClF2N3O2
Molecular Weight391.81 g/mol
Exact Mass391.09
IUPAC Name4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one
SMILESCN(Cc1ccc(OC(F)F)cc1)c1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C19H16ClF2N3O2/c1-24(12-13-7-9-15(10-8-13)27-19(21)22)16-11-23-25(18(26)17(16)20)14-5-3-2-4-6-14/h2-11,19H,12H2,1H3
InChIKeyURELSQVXAYAMMC-UHFFFAOYSA-N
XLogP4.12
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one (CID 9113848) is 4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one is CN(Cc1ccc(OC(F)F)cc1)c1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one?
The InChIKey is URELSQVXAYAMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O2/c1-24(12-13-7-9-15(10-8-13)27-19(21)22)16-11-23-25(18(26)17(16)20)14-5-3-2-4-6-14/h2-11,19H,12H2,1H3.
What are the key properties of 4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one?
4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one has a molecular weight of 391.81 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 9113848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).