N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide

C26H23F6NO — CID 10254526

IUPACN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide
SMILESCN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23F6NO/c1-33(13-12-18-14-21(25(27,28)29)16-22(15-18)26(30,31)32)24(34)17-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14-16,23H,12-13,17H2,1H3
InChIKeyZBUHIKOFVVSCIC-UHFFFAOYSA-N
MW479.46 g/mol
LogP6.95
Rot. Bonds7

About N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide

N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide (PubChem CID 10254526) has the molecular formula C26H23F6NO and a molecular weight of 479.46 g/mol. Its IUPAC name is N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide
PubChem CID10254526
Molecular FormulaC26H23F6NO
Molecular Weight479.46 g/mol
Exact Mass479.17
IUPAC NameN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide
SMILESCN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23F6NO/c1-33(13-12-18-14-21(25(27,28)29)16-22(15-18)26(30,31)32)24(34)17-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14-16,23H,12-13,17H2,1H3
InChIKeyZBUHIKOFVVSCIC-UHFFFAOYSA-N
XLogP6.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.46
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide?
The IUPAC name of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide (CID 10254526) is N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide is CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide?
The InChIKey is ZBUHIKOFVVSCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F6NO/c1-33(13-12-18-14-21(25(27,28)29)16-22(15-18)26(30,31)32)24(34)17-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14-16,23H,12-13,17H2,1H3.
What are the key properties of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide?
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide has a molecular weight of 479.46 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-3,3-diphenylpropanamide is sourced from PubChem (CID 10254526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).