2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide

C28H24F3NO2 — CID 23091218

IUPAC2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C(NC(=O)C(F)(F)F)c2cccc3ccccc23)cc1
InChIInChI=1S/C28H24F3NO2/c1-18-10-14-21(15-11-18)27(34,22-16-12-19(2)13-17-22)25(32-26(33)28(29,30)31)24-9-5-7-20-6-3-4-8-23(20)24/h3-17,25,34H,1-2H3,(H,32,33)
InChIKeyBPXNDDOJBIPMMR-UHFFFAOYSA-N
MW463.50 g/mol
LogP6.11
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide

2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide (PubChem CID 23091218) has the molecular formula C28H24F3NO2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide
PubChem CID23091218
Molecular FormulaC28H24F3NO2
Molecular Weight463.50 g/mol
Exact Mass463.18
IUPAC Name2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C(NC(=O)C(F)(F)F)c2cccc3ccccc23)cc1
InChIInChI=1S/C28H24F3NO2/c1-18-10-14-21(15-11-18)27(34,22-16-12-19(2)13-17-22)25(32-26(33)28(29,30)31)24-9-5-7-20-6-3-4-8-23(20)24/h3-17,25,34H,1-2H3,(H,32,33)
InChIKeyBPXNDDOJBIPMMR-UHFFFAOYSA-N
XLogP6.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide (CID 23091218) is 2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide is Cc1ccc(C(O)(c2ccc(C)cc2)C(NC(=O)C(F)(F)F)c2cccc3ccccc23)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide?
The InChIKey is BPXNDDOJBIPMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3NO2/c1-18-10-14-21(15-11-18)27(34,22-16-12-19(2)13-17-22)25(32-26(33)28(29,30)31)24-9-5-7-20-6-3-4-8-23(20)24/h3-17,25,34H,1-2H3,(H,32,33).
What are the key properties of 2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide?
2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide has a molecular weight of 463.50 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]acetamide is sourced from PubChem (CID 23091218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).