2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide

C27H25F7N2O3 — CID 11330403

IUPAC2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide
SMILESC[C@@H](O[C@H]1CN(C2=C(CC(N)=O)C(=O)CC2)C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H25F7N2O3/c1-14(16-8-17(26(29,30)31)10-18(9-16)27(32,33)34)39-24-13-36(12-21(24)15-2-4-19(28)5-3-15)22-6-7-23(37)20(22)11-25(35)38/h2-5,8-10,14,21,24H,6-7,11-13H2,1H3,(H2,35,38)/t14-,21-,24+/m1/s1
InChIKeyOZJORSUISNFVKL-CGOGNOBXSA-N
MW558.49 g/mol
LogP5.90
Rot. Bonds7

About 2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide

2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide (PubChem CID 11330403) has the molecular formula C27H25F7N2O3 and a molecular weight of 558.49 g/mol. Its IUPAC name is 2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide
PubChem CID11330403
Molecular FormulaC27H25F7N2O3
Molecular Weight558.49 g/mol
Exact Mass558.18
IUPAC Name2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide
SMILESC[C@@H](O[C@H]1CN(C2=C(CC(N)=O)C(=O)CC2)C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H25F7N2O3/c1-14(16-8-17(26(29,30)31)10-18(9-16)27(32,33)34)39-24-13-36(12-21(24)15-2-4-19(28)5-3-15)22-6-7-23(37)20(22)11-25(35)38/h2-5,8-10,14,21,24H,6-7,11-13H2,1H3,(H2,35,38)/t14-,21-,24+/m1/s1
InChIKeyOZJORSUISNFVKL-CGOGNOBXSA-N
XLogP5.90
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.49
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide?
The IUPAC name of 2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide (CID 11330403) is 2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide is C[C@@H](O[C@H]1CN(C2=C(CC(N)=O)C(=O)CC2)C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide?
The InChIKey is OZJORSUISNFVKL-CGOGNOBXSA-N. The full InChI is InChI=1S/C27H25F7N2O3/c1-14(16-8-17(26(29,30)31)10-18(9-16)27(32,33)34)39-24-13-36(12-21(24)15-2-4-19(28)5-3-15)22-6-7-23(37)20(22)11-25(35)38/h2-5,8-10,14,21,24H,6-7,11-13H2,1H3,(H2,35,38)/t14-,21-,24+/m1/s1.
What are the key properties of 2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide?
2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide has a molecular weight of 558.49 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)pyrrolidin-1-yl]-5-oxocyclopenten-1-yl]acetamide is sourced from PubChem (CID 11330403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).