(2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide

C21H26FN3O2 — CID 52518182

About (2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide

(2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide (PubChem CID 52518182) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

• Compound Name: (2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide
• PubChem CID: 52518182
• Molecular Formula: C21H26FN3O2
• Molecular Weight: 371.46 g/mol
• Exact Mass: 371.20
• IUPAC Name: (2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide
• SMILES: Cc1cccc(C(C)C)c1NC(=O)CN(C)[C@@H](C(N)=O)c1cccc(F)c1
• InChI: InChI=1S/C21H26FN3O2/c1-13(2)17-10-5-7-14(3)19(17)24-18(26)12-25(4)20(21(23)27)15-8-6-9-16(22)11-15/h5-11,13,20H,12H2,1-4H3,(H2,23,27)(H,24,26)/t20-/m1/s1
• InChIKey: QOJCOKDUAUDMJQ-HXUWFJFHSA-N
• XLogP: 3.35
• TPSA: 75.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.46
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide?

The IUPAC name of (2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide (CID 52518182) is (2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide.

What is the SMILES notation for (2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide?

The canonical SMILES for (2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide is Cc1cccc(C(C)C)c1NC(=O)CN(C)[C@@H](C(N)=O)c1cccc(F)c1.

What is the InChIKey of (2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide?

The InChIKey is QOJCOKDUAUDMJQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-13(2)17-10-5-7-14(3)19(17)24-18(26)12-25(4)20(21(23)27)15-8-6-9-16(22)11-15/h5-11,13,20H,12H2,1-4H3,(H2,23,27)(H,24,26)/t20-/m1/s1.

What are the key properties of (2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide?

(2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 371.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 52518182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).