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

C26H25Cl2NO2 — CID 129453811

IUPACN-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide
SMILESC[C@]1(NC(=O)Cc2ccccc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C26H25Cl2NO2/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
InChIKeyBTKHWOSJAYDPSL-GSLIJJQTSA-N
MW454.40 g/mol
LogP6.70
Rot. Bonds5

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

N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide (PubChem CID 129453811) has the molecular formula C26H25Cl2NO2 and a molecular weight of 454.40 g/mol. Its IUPAC name is N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide
PubChem CID129453811
Molecular FormulaC26H25Cl2NO2
Molecular Weight454.40 g/mol
Exact Mass453.13
IUPAC NameN-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide
SMILESC[C@]1(NC(=O)Cc2ccccc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C26H25Cl2NO2/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
InChIKeyBTKHWOSJAYDPSL-GSLIJJQTSA-N
XLogP6.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.40
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide
CID 129459192
N-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide
CID 110155144
N-[(2R,4R,6S)-2-(3-bromophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide
CID 110155212
N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3,4-difluorophenyl)-4-methyloxan-4-yl]propanamide
CID 110155085
N-[(2R,4S,6S)-2-(4-chloro-2-fluorophenyl)-6-(3-chlorophenyl)-4-methyloxan-4-yl]acetamide
CID 110155138
N-[(2R,4S,6S)-2-(4-chloro-2-fluorophenyl)-6-(3-chlorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155166
N-[(2S,4S,6R)-2-(3-chlorophenyl)-6-(2,4-difluorophenyl)-4-methyloxan-4-yl]-2-methylpropanamide
CID 110155150
N-[(2R,4R,6S)-2-(3-bromophenyl)-6-(3-chlorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155228
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-(4-chlorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155129
N-[(2R,4R,6S)-2-(4-acetamidophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-methylpropanamide
CID 110155103
2-[2-[(2R,4S,6S)-4-acetamido-6-(3-chlorophenyl)-4-methyloxan-2-yl]-4-ethylphenoxy]acetic acid
CID 110166321

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide?
The IUPAC name of N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide (CID 129453811) is N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide is C[C@]1(NC(=O)Cc2ccccc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Cl)c2)C1.
What is the InChIKey of N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide?
The InChIKey is BTKHWOSJAYDPSL-GSLIJJQTSA-N. The full InChI is InChI=1S/C26H25Cl2NO2/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-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide?
N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide has a molecular weight of 454.40 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide is sourced from PubChem (CID 129453811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).