N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate

C52H60F10N4O6 — CID 162136939

About N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate

N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate (PubChem CID 162136939) has the molecular formula C52H60F10N4O6 and a molecular weight of 1027.05 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate.

Molecular Properties

• Compound Name: N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate
• PubChem CID: 162136939
• Molecular Formula: C52H60F10N4O6
• Molecular Weight: 1027.05 g/mol
• Exact Mass: 1026.44
• IUPAC Name: N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate
• SMILES: C=C(c1cccc(C2(NCC(O)C(Cc3cc(F)cc(F)c3)NC(C)=O)CC2)c1)C(F)(F)F.CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C(C)C(F)(F)F)c2)CC1.CCOC(C)=O
• InChI: InChI=1S/C24H27F5N2O2.C24H25F5N2O2.C4H8O2/c2*1-14(24(27,28)29)17-4-3-5-18(11-17)23(6-7-23)30-13-22(33)21(31-15(2)32)10-16-8-19(25)12-20(26)9-16;1-3-6-4(2)5/h3-5,8-9,11-12,14,21-22,30,33H,6-7,10,13H2,1-2H3,(H,31,32);3-5,8-9,11-12,21-22,30,33H,1,6-7,10,13H2,2H3,(H,31,32);3H2,1-2H3
• InChIKey: ZJKMGICZMLPENS-UHFFFAOYSA-N
• XLogP: 9.11
• TPSA: 149.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1027.05
LogP ≤ 5	9.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate?

The IUPAC name of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate (CID 162136939) is N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate.

What is the SMILES notation for N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate?

The canonical SMILES for N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate is C=C(c1cccc(C2(NCC(O)C(Cc3cc(F)cc(F)c3)NC(C)=O)CC2)c1)C(F)(F)F.CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C(C)C(F)(F)F)c2)CC1.CCOC(C)=O.

What is the InChIKey of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate?

The InChIKey is ZJKMGICZMLPENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F5N2O2.C24H25F5N2O2.C4H8O2/c2*1-14(24(27,28)29)17-4-3-5-18(11-17)23(6-7-23)30-13-22(33)21(31-15(2)32)10-16-8-19(25)12-20(26)9-16;1-3-6-4(2)5/h3-5,8-9,11-12,14,21-22,30,33H,6-7,10,13H2,1-2H3,(H,31,32);3-5,8-9,11-12,21-22,30,33H,1,6-7,10,13H2,2H3,(H,31,32);3H2,1-2H3.

What are the key properties of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate?

N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate has a molecular weight of 1027.05 g/mol, XLogP of 9.11, 19 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,1,1-trifluoropropan-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide;ethyl acetate is sourced from PubChem (CID 162136939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).