(2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide

C29H27Cl2F3N2O4 — CID 122521927

About (2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide

(2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide (PubChem CID 122521927) has the molecular formula C29H27Cl2F3N2O4 and a molecular weight of 595.45 g/mol. Its IUPAC name is (2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: (2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide
• PubChem CID: 122521927
• Molecular Formula: C29H27Cl2F3N2O4
• Molecular Weight: 595.45 g/mol
• Exact Mass: 594.13
• IUPAC Name: (2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide
• SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)Oc1cc(Cl)cc(Cl)c1)c1ccccc1)C(=O)C(F)(F)F
• InChI: InChI=1S/C29H27Cl2F3N2O4/c1-17(2)24(26(37)29(32,33)34)35-28(39)25(19-11-7-4-8-12-19)36-27(38)23(13-18-9-5-3-6-10-18)40-22-15-20(30)14-21(31)16-22/h3-12,14-17,23-25H,13H2,1-2H3,(H,35,39)(H,36,38)/t23-,24+,25+/m1/s1
• InChIKey: ZLJFFTQGIAVIEO-DSITVLBTSA-N
• XLogP: 6.11
• TPSA: 84.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.45
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide?

The IUPAC name of (2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide (CID 122521927) is (2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide.

What is the SMILES notation for (2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide?

The canonical SMILES for (2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide is CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)Oc1cc(Cl)cc(Cl)c1)c1ccccc1)C(=O)C(F)(F)F.

What is the InChIKey of (2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide?

The InChIKey is ZLJFFTQGIAVIEO-DSITVLBTSA-N. The full InChI is InChI=1S/C29H27Cl2F3N2O4/c1-17(2)24(26(37)29(32,33)34)35-28(39)25(19-11-7-4-8-12-19)36-27(38)23(13-18-9-5-3-6-10-18)40-22-15-20(30)14-21(31)16-22/h3-12,14-17,23-25H,13H2,1-2H3,(H,35,39)(H,36,38)/t23-,24+,25+/m1/s1.

What are the key properties of (2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide?

(2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide has a molecular weight of 595.45 g/mol, XLogP of 6.11, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(3,5-dichlorophenoxy)-N-[(1S)-2-oxo-1-phenyl-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 122521927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).