N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide

C23H26F3NO — CID 42698365

IUPACN-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCc1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H26F3NO/c24-23(25,26)21-13-11-19(12-14-21)17-27(16-15-18-7-3-1-4-8-18)22(28)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20H,2,5-6,9-10,15-17H2
InChIKeyFHCIWDIGRZEOGG-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.86
Rot. Bonds6

About N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide

N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide (PubChem CID 42698365) has the molecular formula C23H26F3NO and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
PubChem CID42698365
Molecular FormulaC23H26F3NO
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCc1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H26F3NO/c24-23(25,26)21-13-11-19(12-14-21)17-27(16-15-18-7-3-1-4-8-18)22(28)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20H,2,5-6,9-10,15-17H2
InChIKeyFHCIWDIGRZEOGG-UHFFFAOYSA-N
XLogP5.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide (CID 42698365) is N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide is O=C(C1CCCCC1)N(CCc1ccccc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide?
The InChIKey is FHCIWDIGRZEOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3NO/c24-23(25,26)21-13-11-19(12-14-21)17-27(16-15-18-7-3-1-4-8-18)22(28)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20H,2,5-6,9-10,15-17H2.
What are the key properties of N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide?
N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide has a molecular weight of 389.46 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 42698365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).