2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide

C24H25F6NO — CID 21050541

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)C(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1
InChIInChI=1S/C24H25F6NO/c1-15-8-10-22(11-9-15,18-6-4-3-5-7-18)31-21(32)16(2)17-12-19(23(25,26)27)14-20(13-17)24(28,29)30/h3-7,12-16H,8-11H2,1-2H3,(H,31,32)
InChIKeyXLCGAAGJOJCAKE-UHFFFAOYSA-N
MW457.46 g/mol
LogP7.05
Rot. Bonds4

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide (PubChem CID 21050541) has the molecular formula C24H25F6NO and a molecular weight of 457.46 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide
PubChem CID21050541
Molecular FormulaC24H25F6NO
Molecular Weight457.46 g/mol
Exact Mass457.18
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)C(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1
InChIInChI=1S/C24H25F6NO/c1-15-8-10-22(11-9-15,18-6-4-3-5-7-18)31-21(32)16(2)17-12-19(23(25,26)27)14-20(13-17)24(28,29)30/h3-7,12-16H,8-11H2,1-2H3,(H,31,32)
InChIKeyXLCGAAGJOJCAKE-UHFFFAOYSA-N
XLogP7.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.46
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide (CID 21050541) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide is CC1CCC(NC(=O)C(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide?
The InChIKey is XLCGAAGJOJCAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6NO/c1-15-8-10-22(11-9-15,18-6-4-3-5-7-18)31-21(32)16(2)17-12-19(23(25,26)27)14-20(13-17)24(28,29)30/h3-7,12-16H,8-11H2,1-2H3,(H,31,32).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide has a molecular weight of 457.46 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-(4-methyl-1-phenylcyclohexyl)propanamide is sourced from PubChem (CID 21050541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).