N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide

C27H19F6NO — CID 57233630

IUPACN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide
SMILESO=C(NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C27H19F6NO/c28-26(29,30)19-14-17(15-20(16-19)27(31,32)33)12-13-34-25(35)24-10-4-3-9-23(24)22-11-5-7-18-6-1-2-8-21(18)22/h1-11,14-16H,12-13H2,(H,34,35)
InChIKeyOZACHDATYXDCLX-UHFFFAOYSA-N
MW487.44 g/mol
LogP7.52
Rot. Bonds5

About N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide

N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide (PubChem CID 57233630) has the molecular formula C27H19F6NO and a molecular weight of 487.44 g/mol. Its IUPAC name is N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide
PubChem CID57233630
Molecular FormulaC27H19F6NO
Molecular Weight487.44 g/mol
Exact Mass487.14
IUPAC NameN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide
SMILESO=C(NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C27H19F6NO/c28-26(29,30)19-14-17(15-20(16-19)27(31,32)33)12-13-34-25(35)24-10-4-3-9-23(24)22-11-5-7-18-6-1-2-8-21(18)22/h1-11,14-16H,12-13H2,(H,34,35)
InChIKeyOZACHDATYXDCLX-UHFFFAOYSA-N
XLogP7.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.44
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide
CID 54055088
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide
CID 91184668
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide
CID 57046615
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
2-(1,2,4-triazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119060222
2-chloro-N-(2-naphthalen-1-ylethyl)benzamide
CID 46434104
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594284
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-6-(2-trimethylsilylethynyl)pyridine-3-carboxamide
CID 90961364
N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide
CID 20533940
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-bromophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 57189926
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide
CID 91253064
2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594295

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide?
The IUPAC name of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide (CID 57233630) is N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide.
What is the SMILES notation for N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide?
The canonical SMILES for N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide is O=C(NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1cccc2ccccc12.
What is the InChIKey of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide?
The InChIKey is OZACHDATYXDCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F6NO/c28-26(29,30)19-14-17(15-20(16-19)27(31,32)33)12-13-34-25(35)24-10-4-3-9-23(24)22-11-5-7-18-6-1-2-8-21(18)22/h1-11,14-16H,12-13H2,(H,34,35).
What are the key properties of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide?
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide has a molecular weight of 487.44 g/mol, XLogP of 7.52, 5 rotatable bonds, 1 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]-2-naphthalen-1-ylbenzamide is sourced from PubChem (CID 57233630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).