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

C26H24Cl2FNO2 — CID 110076235

IUPACN-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCC1(NC(=O)Cc2ccc(F)cc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H24Cl2FNO2/c1-26(30-25(31)14-17-2-12-22(29)13-3-17)15-23(18-4-8-20(27)9-5-18)32-24(16-26)19-6-10-21(28)11-7-19/h2-13,23-24H,14-16H2,1H3,(H,30,31)/t23-,24+,26?
InChIKeySYQCTDKRTBEDQY-MAOIWGCQSA-N
MW472.39 g/mol
LogP6.84
Rot. Bonds5

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

N-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 110076235) has the molecular formula C26H24Cl2FNO2 and a molecular weight of 472.39 g/mol. Its IUPAC name is N-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide
PubChem CID110076235
Molecular FormulaC26H24Cl2FNO2
Molecular Weight472.39 g/mol
Exact Mass471.12
IUPAC NameN-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCC1(NC(=O)Cc2ccc(F)cc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H24Cl2FNO2/c1-26(30-25(31)14-17-2-12-22(29)13-3-17)15-23(18-4-8-20(27)9-5-18)32-24(16-26)19-6-10-21(28)11-7-19/h2-13,23-24H,14-16H2,1H3,(H,30,31)/t23-,24+,26?
InChIKeySYQCTDKRTBEDQY-MAOIWGCQSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide (CID 110076235) is N-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide is CC1(NC(=O)Cc2ccc(F)cc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is SYQCTDKRTBEDQY-MAOIWGCQSA-N. The full InChI is InChI=1S/C26H24Cl2FNO2/c1-26(30-25(31)14-17-2-12-22(29)13-3-17)15-23(18-4-8-20(27)9-5-18)32-24(16-26)19-6-10-21(28)11-7-19/h2-13,23-24H,14-16H2,1H3,(H,30,31)/t23-,24+,26?.
What are the key properties of N-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide?
N-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)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 N-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110076235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).