2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide

C23H17F6NO — CID 18546495

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide
SMILESCN(C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H17F6NO/c1-30(20-10-6-5-9-19(20)16-7-3-2-4-8-16)21(31)13-15-11-17(22(24,25)26)14-18(12-15)23(27,28)29/h2-12,14H,13H2,1H3
InChIKeyYPDPPCHRJSBOBT-UHFFFAOYSA-N
MW437.38 g/mol
LogP6.60
Rot. Bonds4

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide (PubChem CID 18546495) has the molecular formula C23H17F6NO and a molecular weight of 437.38 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide
PubChem CID18546495
Molecular FormulaC23H17F6NO
Molecular Weight437.38 g/mol
Exact Mass437.12
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide
SMILESCN(C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H17F6NO/c1-30(20-10-6-5-9-19(20)16-7-3-2-4-8-16)21(31)13-15-11-17(22(24,25)26)14-18(12-15)23(27,28)29/h2-12,14H,13H2,1H3
InChIKeyYPDPPCHRJSBOBT-UHFFFAOYSA-N
XLogP6.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.38
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide (CID 18546495) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide is CN(C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide?
The InChIKey is YPDPPCHRJSBOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6NO/c1-30(20-10-6-5-9-19(20)16-7-3-2-4-8-16)21(31)13-15-11-17(22(24,25)26)14-18(12-15)23(27,28)29/h2-12,14H,13H2,1H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide has a molecular weight of 437.38 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 18546495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).