N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide

C26H25ClFNO2 — CID 110076159

IUPACN-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide
SMILESC[C@]1(NC(=O)Cc2ccccc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C26H25ClFNO2/c1-26(29-25(30)14-18-6-3-2-4-7-18)16-23(19-10-12-21(27)13-11-19)31-24(17-26)20-8-5-9-22(28)15-20/h2-13,15,23-24H,14,16-17H2,1H3,(H,29,30)/t23-,24+,26-/m0/s1
InChIKeyKXQKULTXGGHNCQ-GSLIJJQTSA-N
MW437.94 g/mol
LogP6.19
Rot. Bonds5

About N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide

N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide (PubChem CID 110076159) has the molecular formula C26H25ClFNO2 and a molecular weight of 437.94 g/mol. Its IUPAC name is N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide
PubChem CID110076159
Molecular FormulaC26H25ClFNO2
Molecular Weight437.94 g/mol
Exact Mass437.16
IUPAC NameN-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide
SMILESC[C@]1(NC(=O)Cc2ccccc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C26H25ClFNO2/c1-26(29-25(30)14-18-6-3-2-4-7-18)16-23(19-10-12-21(27)13-11-19)31-24(17-26)20-8-5-9-22(28)15-20/h2-13,15,23-24H,14,16-17H2,1H3,(H,29,30)/t23-,24+,26-/m0/s1
InChIKeyKXQKULTXGGHNCQ-GSLIJJQTSA-N
XLogP6.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.94
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide 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 N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide?
The IUPAC name of N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide (CID 110076159) is N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide is C[C@]1(NC(=O)Cc2ccccc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(F)c2)C1.
What is the InChIKey of N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide?
The InChIKey is KXQKULTXGGHNCQ-GSLIJJQTSA-N. The full InChI is InChI=1S/C26H25ClFNO2/c1-26(29-25(30)14-18-6-3-2-4-7-18)16-23(19-10-12-21(27)13-11-19)31-24(17-26)20-8-5-9-22(28)15-20/h2-13,15,23-24H,14,16-17H2,1H3,(H,29,30)/t23-,24+,26-/m0/s1.
What are the key properties of N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide?
N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide has a molecular weight of 437.94 g/mol, XLogP of 6.19, 5 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-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide is sourced from PubChem (CID 110076159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).