2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide

C17H12Cl2N4O — CID 113047552

IUPAC2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)cc2)nn1)c1ccccc1Cl
InChIInChI=1S/C17H12Cl2N4O/c18-11-5-7-12(8-6-11)20-15-9-10-16(23-22-15)21-17(24)13-3-1-2-4-14(13)19/h1-10H,(H,20,22)(H,21,23,24)
InChIKeyRJBAKMHWMQNCGI-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.78
Rot. Bonds4

About 2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide

2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide (PubChem CID 113047552) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is 2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide
PubChem CID113047552
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC Name2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)cc2)nn1)c1ccccc1Cl
InChIInChI=1S/C17H12Cl2N4O/c18-11-5-7-12(8-6-11)20-15-9-10-16(23-22-15)21-17(24)13-3-1-2-4-14(13)19/h1-10H,(H,20,22)(H,21,23,24)
InChIKeyRJBAKMHWMQNCGI-UHFFFAOYSA-N
XLogP4.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113047536
6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109128614
2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide
CID 113047175
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide
CID 113050240
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047562
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113050853
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563
1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038860

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide (CID 113047552) is 2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(Nc2ccc(Cl)cc2)nn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide?
The InChIKey is RJBAKMHWMQNCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c18-11-5-7-12(8-6-11)20-15-9-10-16(23-22-15)21-17(24)13-3-1-2-4-14(13)19/h1-10H,(H,20,22)(H,21,23,24).
What are the key properties of 2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide?
2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide has a molecular weight of 359.22 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113047552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).