2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide

C26H19ClF11N3O3 — CID 58920485

IUPAC2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide
SMILESNC(C(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C26H19ClF11N3O3/c27-15-6-7-18(40-12-15)22(11-13-4-2-1-3-5-13,14-8-16(28)10-17(9-14)44-24(31,32)21(29)30)41-20(42)19(39)23(43,25(33,34)35)26(36,37)38/h1-10,12,19,21,43H,11,39H2,(H,41,42)/t19?,22-/m0/s1
InChIKeyZHNVPGYPGBIXIY-BPARTEKVSA-N
MW665.89 g/mol
LogP5.90
Rot. Bonds10

About 2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide

2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide (PubChem CID 58920485) has the molecular formula C26H19ClF11N3O3 and a molecular weight of 665.89 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide
PubChem CID58920485
Molecular FormulaC26H19ClF11N3O3
Molecular Weight665.89 g/mol
Exact Mass665.09
IUPAC Name2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide
SMILESNC(C(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C26H19ClF11N3O3/c27-15-6-7-18(40-12-15)22(11-13-4-2-1-3-5-13,14-8-16(28)10-17(9-14)44-24(31,32)21(29)30)41-20(42)19(39)23(43,25(33,34)35)26(36,37)38/h1-10,12,19,21,43H,11,39H2,(H,41,42)/t19?,22-/m0/s1
InChIKeyZHNVPGYPGBIXIY-BPARTEKVSA-N
XLogP5.90
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.89
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide 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-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide (CID 58920485) is 2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide is NC(C(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide?
The InChIKey is ZHNVPGYPGBIXIY-BPARTEKVSA-N. The full InChI is InChI=1S/C26H19ClF11N3O3/c27-15-6-7-18(40-12-15)22(11-13-4-2-1-3-5-13,14-8-16(28)10-17(9-14)44-24(31,32)21(29)30)41-20(42)19(39)23(43,25(33,34)35)26(36,37)38/h1-10,12,19,21,43H,11,39H2,(H,41,42)/t19?,22-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide?
2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide has a molecular weight of 665.89 g/mol, XLogP of 5.90, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide is sourced from PubChem (CID 58920485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).