(2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide

C24H25F4NO4 — CID 23902717

IUPAC(2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1
InChIInChI=1S/C24H25F4NO4/c25-20-9-3-16(4-10-20)15-29-23(31)21-13-18(14-22(33-21)32-12-2-1-11-30)17-5-7-19(8-6-17)24(26,27)28/h3-10,13,18,22,30H,1-2,11-12,14-15H2,(H,29,31)/t18-,22+/m0/s1
InChIKeyVRUQMYURNSXBLA-PGRDOPGGSA-N
MW467.46 g/mol
LogP4.66
Rot. Bonds9

About (2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23902717) has the molecular formula C24H25F4NO4 and a molecular weight of 467.46 g/mol. Its IUPAC name is (2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23902717
Molecular FormulaC24H25F4NO4
Molecular Weight467.46 g/mol
Exact Mass467.17
IUPAC Name(2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1
InChIInChI=1S/C24H25F4NO4/c25-20-9-3-16(4-10-20)15-29-23(31)21-13-18(14-22(33-21)32-12-2-1-11-30)17-5-7-19(8-6-17)24(26,27)28/h3-10,13,18,22,30H,1-2,11-12,14-15H2,(H,29,31)/t18-,22+/m0/s1
InChIKeyVRUQMYURNSXBLA-PGRDOPGGSA-N
XLogP4.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6669375
(4-benzylpiperazin-1-yl)((2R,4S)-4-cyclohexyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl)methanone
CID 16195727
(4-benzylpiperazin-1-yl)((2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-pyran-6-yl)methanone
CID 16195751
((2R,4R)-2-(4-hydroxybutoxy)-4-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195799
(4-benzylpiperazin-1-yl)((2R,4R)-2-(4-hydroxybutoxy)-4-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-pyran-6-yl)methanone
CID 16195860
(2S,4R)-N-benzyl-4-cyclohexyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197050
(2R,3R,4S)-N-benzyl-2-ethoxy-4-(4-ethynylphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197051
(2S,3S,4R)-N-benzyl-4-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197108
(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-prop-2-ynyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197114
(2R,3R,4S)-N-benzyl-2-ethoxy-3-(3-hydroxypropyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197151
(2R,4S)-N-benzyl-4-cyclohexyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197152
(2R,4R)-2-(4-hydroxybutoxy)-N-prop-2-ynyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197157

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 23902717) is (2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCc1ccc(F)cc1)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1.
What is the InChIKey of (2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is VRUQMYURNSXBLA-PGRDOPGGSA-N. The full InChI is InChI=1S/C24H25F4NO4/c25-20-9-3-16(4-10-20)15-29-23(31)21-13-18(14-22(33-21)32-12-2-1-11-30)17-5-7-19(8-6-17)24(26,27)28/h3-10,13,18,22,30H,1-2,11-12,14-15H2,(H,29,31)/t18-,22+/m0/s1.
What are the key properties of (2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 467.46 g/mol, XLogP of 4.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23902717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).