2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide

C18H14IN3O2 — CID 41089392

IUPAC2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccccc3I)cc2)nn1
InChIInChI=1S/C18H14IN3O2/c1-24-17-11-10-16(21-22-17)12-6-8-13(9-7-12)20-18(23)14-4-2-3-5-15(14)19/h2-11H,1H3,(H,20,23)
InChIKeyZOMCSLTWHRQUOM-UHFFFAOYSA-N
MW431.23 g/mol
LogP4.01
Rot. Bonds4

About 2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide

2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide (PubChem CID 41089392) has the molecular formula C18H14IN3O2 and a molecular weight of 431.23 g/mol. Its IUPAC name is 2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
PubChem CID41089392
Molecular FormulaC18H14IN3O2
Molecular Weight431.23 g/mol
Exact Mass431.01
IUPAC Name2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccccc3I)cc2)nn1
InChIInChI=1S/C18H14IN3O2/c1-24-17-11-10-16(21-22-17)12-6-8-13(9-7-12)20-18(23)14-4-2-3-5-15(14)19/h2-11H,1H3,(H,20,23)
InChIKeyZOMCSLTWHRQUOM-UHFFFAOYSA-N
XLogP4.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-iodo-N-[4-(6-methoxypyridazin-3-yl)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-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593562
N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 7593583
2-methoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide
CID 134803095
3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593570
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide
CID 7593665
N-[4-(carbamoylamino)phenyl]-2-iodobenzamide
CID 33152104
1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991234
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
N-[4-(difluoromethoxy)phenyl]-2-iodobenzamide
CID 7941252
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide (CID 41089392) is 2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide is COc1ccc(-c2ccc(NC(=O)c3ccccc3I)cc2)nn1.
What is the InChIKey of 2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The InChIKey is ZOMCSLTWHRQUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14IN3O2/c1-24-17-11-10-16(21-22-17)12-6-8-13(9-7-12)20-18(23)14-4-2-3-5-15(14)19/h2-11H,1H3,(H,20,23).
What are the key properties of 2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide?
2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide has a molecular weight of 431.23 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 41089392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).