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

C26H24Cl2FNO2 — CID 129459192

IUPAC2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide
SMILESC[C@]1(NC(=O)Cc2ccc(Cl)cc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C26H24Cl2FNO2/c1-26(30-25(31)13-17-5-9-20(27)10-6-17)15-23(18-7-11-21(28)12-8-18)32-24(16-26)19-3-2-4-22(29)14-19/h2-12,14,23-24H,13,15-16H2,1H3,(H,30,31)/t23-,24+,26-/m0/s1
InChIKeyWPGRSSZUQHYBLF-GSLIJJQTSA-N
MW472.39 g/mol
LogP6.84
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide (PubChem CID 129459192) has the molecular formula C26H24Cl2FNO2 and a molecular weight of 472.39 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide
PubChem CID129459192
Molecular FormulaC26H24Cl2FNO2
Molecular Weight472.39 g/mol
Exact Mass471.12
IUPAC Name2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide
SMILESC[C@]1(NC(=O)Cc2ccc(Cl)cc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C26H24Cl2FNO2/c1-26(30-25(31)13-17-5-9-20(27)10-6-17)15-23(18-7-11-21(28)12-8-18)32-24(16-26)19-3-2-4-22(29)14-19/h2-12,14,23-24H,13,15-16H2,1H3,(H,30,31)/t23-,24+,26-/m0/s1
InChIKeyWPGRSSZUQHYBLF-GSLIJJQTSA-N
XLogP6.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.39
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide with MolForge

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Related Compounds

N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide
CID 129453811
N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3,4-difluorophenyl)-4-methyloxan-4-yl]propanamide
CID 110155085
N-[(2R,4R,6S)-2-(3-bromophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide
CID 110155212
N-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide
CID 110155144
N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2,5-difluorophenyl)-4-methyloxan-4-yl]acetamide
CID 110155068
N-[(2S,4S,6R)-2-(3-chlorophenyl)-6-(2,4-difluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155160
N-[(2R,4S,6S)-2-(4-chloro-2-fluorophenyl)-6-(3-chlorophenyl)-4-methyloxan-4-yl]acetamide
CID 110155138
N-[(2R,4R,6S)-2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-2-methylpropanamide
CID 110155192
N-[(2R,4S,6S)-2-(4-chloro-2-fluorophenyl)-6-(3-chlorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155166
N-[(2R,4R,6S)-2-(4-acetamidophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-methylpropanamide
CID 110155103
N-[(2R,4R,6S)-2-(3-chloro-2-hydroxyphenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155217
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide (CID 129459192) is 2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide is C[C@]1(NC(=O)Cc2ccc(Cl)cc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(F)c2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide?
The InChIKey is WPGRSSZUQHYBLF-GSLIJJQTSA-N. The full InChI is InChI=1S/C26H24Cl2FNO2/c1-26(30-25(31)13-17-5-9-20(27)10-6-17)15-23(18-7-11-21(28)12-8-18)32-24(16-26)19-3-2-4-22(29)14-19/h2-12,14,23-24H,13,15-16H2,1H3,(H,30,31)/t23-,24+,26-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide?
2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide has a molecular weight of 472.39 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide is sourced from PubChem (CID 129459192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).