3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide

C18H15ClN4O — CID 113045730

IUPAC3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C18H15ClN4O/c1-12-4-2-7-15(10-12)20-16-8-9-17(23-22-16)21-18(24)13-5-3-6-14(19)11-13/h2-11H,1H3,(H,20,22)(H,21,23,24)
InChIKeyDOPXOOGBDCLQCA-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.43
Rot. Bonds4

About 3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide

3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide (PubChem CID 113045730) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide
PubChem CID113045730
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C18H15ClN4O/c1-12-4-2-7-15(10-12)20-16-8-9-17(23-22-16)21-18(24)13-5-3-6-14(19)11-13/h2-11H,1H3,(H,20,22)(H,21,23,24)
InChIKeyDOPXOOGBDCLQCA-UHFFFAOYSA-N
XLogP4.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[6-(3-methylanilino)pyridazin-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

Related Compounds

3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide
CID 113049968
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047474
N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113045734
3-[(3-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1040986
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide
CID 113048466
N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
CID 113049942
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113047565
N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113049056

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide (CID 113045730) is 3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide is Cc1cccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)nn2)c1.
What is the InChIKey of 3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide?
The InChIKey is DOPXOOGBDCLQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-12-4-2-7-15(10-12)20-16-8-9-17(23-22-16)21-18(24)13-5-3-6-14(19)11-13/h2-11H,1H3,(H,20,22)(H,21,23,24).
What are the key properties of 3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide?
3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide has a molecular weight of 338.80 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113045730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).