2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide

C33H31Cl2N5O2 — CID 83278599

About 2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide

2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide (PubChem CID 83278599) has the molecular formula C33H31Cl2N5O2 and a molecular weight of 600.55 g/mol. Its IUPAC name is 2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
• PubChem CID: 83278599
• Molecular Formula: C33H31Cl2N5O2
• Molecular Weight: 600.55 g/mol
• Exact Mass: 599.19
• IUPAC Name: 2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
• SMILES: O=C(CN(CC1CC1)C(=O)c1ccc(Cl)cc1Cl)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1
• InChI: InChI=1S/C33H31Cl2N5O2/c34-27-12-13-28(29(35)20-27)33(42)40(21-23-6-7-23)22-32(41)39-18-16-38(17-19-39)31-15-14-30(36-37-31)26-10-8-25(9-11-26)24-4-2-1-3-5-24/h1-5,8-15,20,23H,6-7,16-19,21-22H2
• InChIKey: UOGDSDGKMIFOKK-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 69.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.55
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide?

The IUPAC name of 2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide (CID 83278599) is 2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide is O=C(CN(CC1CC1)C(=O)c1ccc(Cl)cc1Cl)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1.

What is the InChIKey of 2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide?

The InChIKey is UOGDSDGKMIFOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31Cl2N5O2/c34-27-12-13-28(29(35)20-27)33(42)40(21-23-6-7-23)22-32(41)39-18-16-38(17-19-39)31-15-14-30(36-37-31)26-10-8-25(9-11-26)24-4-2-1-3-5-24/h1-5,8-15,20,23H,6-7,16-19,21-22H2.

What are the key properties of 2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide?

2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 600.55 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 83278599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).