N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide

C20H19F4NO2 — CID 110155012

IUPACN-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(F)c(F)cc2F)C1
InChIInChI=1S/C20H19F4NO2/c1-11(26)25-20(2)9-18(12-3-5-13(21)6-4-12)27-19(10-20)14-7-16(23)17(24)8-15(14)22/h3-8,18-19H,9-10H2,1-2H3,(H,25,26)/t18-,19+,20-/m0/s1
InChIKeySPHPDWQWRLQCBM-ZCNNSNEGSA-N
MW381.37 g/mol
LogP4.73
Rot. Bonds3

About N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide

N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide (PubChem CID 110155012) has the molecular formula C20H19F4NO2 and a molecular weight of 381.37 g/mol. Its IUPAC name is N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide
PubChem CID110155012
Molecular FormulaC20H19F4NO2
Molecular Weight381.37 g/mol
Exact Mass381.14
IUPAC NameN-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(F)c(F)cc2F)C1
InChIInChI=1S/C20H19F4NO2/c1-11(26)25-20(2)9-18(12-3-5-13(21)6-4-12)27-19(10-20)14-7-16(23)17(24)8-15(14)22/h3-8,18-19H,9-10H2,1-2H3,(H,25,26)/t18-,19+,20-/m0/s1
InChIKeySPHPDWQWRLQCBM-ZCNNSNEGSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide (CID 110155012) is N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide is CC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(F)c(F)cc2F)C1.
What is the InChIKey of N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide?
The InChIKey is SPHPDWQWRLQCBM-ZCNNSNEGSA-N. The full InChI is InChI=1S/C20H19F4NO2/c1-11(26)25-20(2)9-18(12-3-5-13(21)6-4-12)27-19(10-20)14-7-16(23)17(24)8-15(14)22/h3-8,18-19H,9-10H2,1-2H3,(H,25,26)/t18-,19+,20-/m0/s1.
What are the key properties of N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide?
N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide has a molecular weight of 381.37 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(2,4,5-trifluorophenyl)oxan-4-yl]acetamide is sourced from PubChem (CID 110155012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).