N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C23H20F4N2O3 — CID 67289769

IUPACN-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCc2ccccc2F)cn1
InChIInChI=1S/C23H20F4N2O3/c1-15(29-22(30)14-32-18-8-6-17(7-9-18)23(25,26)27)21-11-10-19(12-28-21)31-13-16-4-2-3-5-20(16)24/h2-12,15H,13-14H2,1H3,(H,29,30)/t15-/m1/s1
InChIKeyPILHBTLSNSSUJN-OAHLLOKOSA-N
MW448.42 g/mol
LogP5.07
Rot. Bonds8

About N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 67289769) has the molecular formula C23H20F4N2O3 and a molecular weight of 448.42 g/mol. Its IUPAC name is N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID67289769
Molecular FormulaC23H20F4N2O3
Molecular Weight448.42 g/mol
Exact Mass448.14
IUPAC NameN-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCc2ccccc2F)cn1
InChIInChI=1S/C23H20F4N2O3/c1-15(29-22(30)14-32-18-8-6-17(7-9-18)23(25,26)27)21-11-10-19(12-28-21)31-13-16-4-2-3-5-20(16)24/h2-12,15H,13-14H2,1H3,(H,29,30)/t15-/m1/s1
InChIKeyPILHBTLSNSSUJN-OAHLLOKOSA-N
XLogP5.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 67289769) is N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCc2ccccc2F)cn1.
What is the InChIKey of N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is PILHBTLSNSSUJN-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H20F4N2O3/c1-15(29-22(30)14-32-18-8-6-17(7-9-18)23(25,26)27)21-11-10-19(12-28-21)31-13-16-4-2-3-5-20(16)24/h2-12,15H,13-14H2,1H3,(H,29,30)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 448.42 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 67289769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).