2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide

C22H22Cl2N4O2 — CID 60571055

About 2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide (PubChem CID 60571055) has the molecular formula C22H22Cl2N4O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide
• PubChem CID: 60571055
• Molecular Formula: C22H22Cl2N4O2
• Molecular Weight: 445.35 g/mol
• Exact Mass: 444.11
• IUPAC Name: 2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide
• SMILES: CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)CNC(=O)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C22H22Cl2N4O2/c1-28(21(29)14-25-22(30)18-10-9-16(23)12-19(18)24)11-5-8-17-13-20(27-26-17)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3,(H,25,30)(H,26,27)
• InChIKey: MVIVKWUDLWJNDK-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.35
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide?

The IUPAC name of 2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide (CID 60571055) is 2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)CNC(=O)c1ccc(Cl)cc1Cl.

What is the InChIKey of 2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide?

The InChIKey is MVIVKWUDLWJNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2/c1-28(21(29)14-25-22(30)18-10-9-16(23)12-19(18)24)11-5-8-17-13-20(27-26-17)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3,(H,25,30)(H,26,27).

What are the key properties of 2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide?

2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide has a molecular weight of 445.35 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 60571055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).