N-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C18H21F6NO2 — CID 24895660

IUPACN-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(CC(F)(F)F)C2CCCCC2)cc1)C(F)(F)F
InChIInChI=1S/C18H21F6NO2/c1-16(27,18(22,23)24)13-9-7-12(8-10-13)15(26)25(11-17(19,20)21)14-5-3-2-4-6-14/h7-10,14,27H,2-6,11H2,1H3/t16-/m0/s1
InChIKeyUVKZPYBKHMVGSW-INIZCTEOSA-N
MW397.36 g/mol
LogP4.79
Rot. Bonds4

About N-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

N-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 24895660) has the molecular formula C18H21F6NO2 and a molecular weight of 397.36 g/mol. Its IUPAC name is N-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID24895660
Molecular FormulaC18H21F6NO2
Molecular Weight397.36 g/mol
Exact Mass397.15
IUPAC NameN-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(CC(F)(F)F)C2CCCCC2)cc1)C(F)(F)F
InChIInChI=1S/C18H21F6NO2/c1-16(27,18(22,23)24)13-9-7-12(8-10-13)15(26)25(11-17(19,20)21)14-5-3-2-4-6-14/h7-10,14,27H,2-6,11H2,1H3/t16-/m0/s1
InChIKeyUVKZPYBKHMVGSW-INIZCTEOSA-N
XLogP4.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 24895660) is N-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is C[C@](O)(c1ccc(C(=O)N(CC(F)(F)F)C2CCCCC2)cc1)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is UVKZPYBKHMVGSW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21F6NO2/c1-16(27,18(22,23)24)13-9-7-12(8-10-13)15(26)25(11-17(19,20)21)14-5-3-2-4-6-14/h7-10,14,27H,2-6,11H2,1H3/t16-/m0/s1.
What are the key properties of N-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 397.36 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2,2,2-trifluoroethyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 24895660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).