2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide

C28H28FN5O2 — CID 3491737

About 2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide

2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide (PubChem CID 3491737) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is 2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
• PubChem CID: 3491737
• Molecular Formula: C28H28FN5O2
• Molecular Weight: 485.56 g/mol
• Exact Mass: 485.22
• IUPAC Name: 2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
• SMILES: CCc1ccccc1NC(=O)N(CC)CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1
• InChI: InChI=1S/C28H28FN5O2/c1-3-20-10-8-9-13-24(20)30-28(36)33(4-2)19-27(35)31-26-18-25(21-11-6-5-7-12-21)32-34(26)23-16-14-22(29)15-17-23/h5-18H,3-4,19H2,1-2H3,(H,30,36)(H,31,35)
• InChIKey: NEMKKFFUQUIMQS-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide?

The IUPAC name of 2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide (CID 3491737) is 2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide.

What is the SMILES notation for 2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide?

The canonical SMILES for 2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide is CCc1ccccc1NC(=O)N(CC)CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1.

What is the InChIKey of 2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide?

The InChIKey is NEMKKFFUQUIMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O2/c1-3-20-10-8-9-13-24(20)30-28(36)33(4-2)19-27(35)31-26-18-25(21-11-6-5-7-12-21)32-34(26)23-16-14-22(29)15-17-23/h5-18H,3-4,19H2,1-2H3,(H,30,36)(H,31,35).

What are the key properties of 2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide?

2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide has a molecular weight of 485.56 g/mol, XLogP of 5.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 3491737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).