2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide

C14H12ClF2N3O2 — CID 134801412

IUPAC2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCC(F)F)c(Cl)c2)nn1
InChIInChI=1S/C14H12ClF2N3O2/c1-22-13-5-4-11(19-20-13)8-2-3-9(10(15)6-8)14(21)18-7-12(16)17/h2-6,12H,7H2,1H3,(H,18,21)
InChIKeyJXDZNDPUFILKDD-UHFFFAOYSA-N
MW327.72 g/mol
LogP2.80
Rot. Bonds5

About 2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide

2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 134801412) has the molecular formula C14H12ClF2N3O2 and a molecular weight of 327.72 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide
PubChem CID134801412
Molecular FormulaC14H12ClF2N3O2
Molecular Weight327.72 g/mol
Exact Mass327.06
IUPAC Name2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCC(F)F)c(Cl)c2)nn1
InChIInChI=1S/C14H12ClF2N3O2/c1-22-13-5-4-11(19-20-13)8-2-3-9(10(15)6-8)14(21)18-7-12(16)17/h2-6,12H,7H2,1H3,(H,18,21)
InChIKeyJXDZNDPUFILKDD-UHFFFAOYSA-N
XLogP2.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide 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 2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide (CID 134801412) is 2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide is COc1ccc(-c2ccc(C(=O)NCC(F)F)c(Cl)c2)nn1.
What is the InChIKey of 2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is JXDZNDPUFILKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N3O2/c1-22-13-5-4-11(19-20-13)8-2-3-9(10(15)6-8)14(21)18-7-12(16)17/h2-6,12H,7H2,1H3,(H,18,21).
What are the key properties of 2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide?
2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 327.72 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 134801412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).