(2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide

C32H31F3N2O — CID 69094498

About (2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide

(2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide (PubChem CID 69094498) has the molecular formula C32H31F3N2O and a molecular weight of 516.61 g/mol. Its IUPAC name is (2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide
• PubChem CID: 69094498
• Molecular Formula: C32H31F3N2O
• Molecular Weight: 516.61 g/mol
• Exact Mass: 516.24
• IUPAC Name: (2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide
• SMILES: CNC(=O)[C@@H](c1ccccc1)N(c1cccc(C)c1)c1ccccc1CCCc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C32H31F3N2O/c1-23-10-8-16-28(22-23)37(30(31(38)36-2)26-13-4-3-5-14-26)29-17-7-6-12-25(29)15-9-11-24-18-20-27(21-19-24)32(33,34)35/h3-8,10,12-14,16-22,30H,9,11,15H2,1-2H3,(H,36,38)/t30-/m1/s1
• InChIKey: QFMACFWUTFJSNB-SSEXGKCCSA-N
• XLogP: 7.81
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.61
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide?

The IUPAC name of (2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide (CID 69094498) is (2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide.

What is the SMILES notation for (2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide?

The canonical SMILES for (2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide is CNC(=O)[C@@H](c1ccccc1)N(c1cccc(C)c1)c1ccccc1CCCc1ccc(C(F)(F)F)cc1.

What is the InChIKey of (2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide?

The InChIKey is QFMACFWUTFJSNB-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H31F3N2O/c1-23-10-8-16-28(22-23)37(30(31(38)36-2)26-13-4-3-5-14-26)29-17-7-6-12-25(29)15-9-11-24-18-20-27(21-19-24)32(33,34)35/h3-8,10,12-14,16-22,30H,9,11,15H2,1-2H3,(H,36,38)/t30-/m1/s1.

What are the key properties of (2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide?

(2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide has a molecular weight of 516.61 g/mol, XLogP of 7.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide is sourced from PubChem (CID 69094498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).