(2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide

C19H21F3N2O3 — CID 67289492

IUPAC(2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
SMILESC[C@@H](NC(=O)[C@H](O)CCc1ccccc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H21F3N2O3/c1-13(16-9-8-15(11-23-16)27-12-19(20,21)22)24-18(26)17(25)10-7-14-5-3-2-4-6-14/h2-6,8-9,11,13,17,25H,7,10,12H2,1H3,(H,24,26)/t13-,17-/m1/s1
InChIKeyYUEFSNLAZSLBHN-CXAGYDPISA-N
MW382.38 g/mol
LogP3.19
Rot. Bonds8

About (2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide

(2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide (PubChem CID 67289492) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is (2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
PubChem CID67289492
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name(2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
SMILESC[C@@H](NC(=O)[C@H](O)CCc1ccccc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H21F3N2O3/c1-13(16-9-8-15(11-23-16)27-12-19(20,21)22)24-18(26)17(25)10-7-14-5-3-2-4-6-14/h2-6,8-9,11,13,17,25H,7,10,12H2,1H3,(H,24,26)/t13-,17-/m1/s1
InChIKeyYUEFSNLAZSLBHN-CXAGYDPISA-N
XLogP3.19
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide?
The IUPAC name of (2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide (CID 67289492) is (2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide.
What is the SMILES notation for (2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide?
The canonical SMILES for (2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide is C[C@@H](NC(=O)[C@H](O)CCc1ccccc1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of (2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide?
The InChIKey is YUEFSNLAZSLBHN-CXAGYDPISA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-13(16-9-8-15(11-23-16)27-12-19(20,21)22)24-18(26)17(25)10-7-14-5-3-2-4-6-14/h2-6,8-9,11,13,17,25H,7,10,12H2,1H3,(H,24,26)/t13-,17-/m1/s1.
What are the key properties of (2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide?
(2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide has a molecular weight of 382.38 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-4-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide is sourced from PubChem (CID 67289492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).