4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide

C23H24ClFN4O4 — CID 55953731

About 4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide

4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide (PubChem CID 55953731) has the molecular formula C23H24ClFN4O4 and a molecular weight of 474.92 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide
• PubChem CID: 55953731
• Molecular Formula: C23H24ClFN4O4
• Molecular Weight: 474.92 g/mol
• Exact Mass: 474.15
• IUPAC Name: 4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide
• SMILES: COc1cc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc(Cl)c1OCC(N)=O
• InChI: InChI=1S/C23H24ClFN4O4/c1-29(8-4-7-17-12-19(28-27-17)14-5-3-6-16(25)9-14)23(31)15-10-18(24)22(20(11-15)32-2)33-13-21(26)30/h3,5-6,9-12H,4,7-8,13H2,1-2H3,(H2,26,30)(H,27,28)
• InChIKey: ICIRYZSPIKMOGW-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 110.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.92
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide?

The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide (CID 55953731) is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide.

What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide?

The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc(Cl)c1OCC(N)=O.

What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide?

The InChIKey is ICIRYZSPIKMOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O4/c1-29(8-4-7-17-12-19(28-27-17)14-5-3-6-16(25)9-14)23(31)15-10-18(24)22(20(11-15)32-2)33-13-21(26)30/h3,5-6,9-12H,4,7-8,13H2,1-2H3,(H2,26,30)(H,27,28).

What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide?

4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide has a molecular weight of 474.92 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 55953731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).