N-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C26H30F3NO2 — CID 15986678

IUPACN-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CCC(Cc3ccccc3)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C26H30F3NO2/c1-25(32,26(27,28)29)21-11-9-20(10-12-21)24(31)30(23-15-16-23)22-13-7-19(8-14-22)17-18-5-3-2-4-6-18/h2-6,9-12,19,22-23,32H,7-8,13-17H2,1H3/t19?,22?,25-/m0/s1
InChIKeyOOXIWNNWQNGZSL-KRFYGZOHSA-N
MW445.53 g/mol
LogP5.86
Rot. Bonds6

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

N-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 15986678) has the molecular formula C26H30F3NO2 and a molecular weight of 445.53 g/mol. Its IUPAC name is N-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID15986678
Molecular FormulaC26H30F3NO2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC NameN-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CCC(Cc3ccccc3)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C26H30F3NO2/c1-25(32,26(27,28)29)21-11-9-20(10-12-21)24(31)30(23-15-16-23)22-13-7-19(8-14-22)17-18-5-3-2-4-6-18/h2-6,9-12,19,22-23,32H,7-8,13-17H2,1H3/t19?,22?,25-/m0/s1
InChIKeyOOXIWNNWQNGZSL-KRFYGZOHSA-N
XLogP5.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 15986678) is N-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is C[C@](O)(c1ccc(C(=O)N(C2CCC(Cc3ccccc3)CC2)C2CC2)cc1)C(F)(F)F.
What is the InChIKey of N-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is OOXIWNNWQNGZSL-KRFYGZOHSA-N. The full InChI is InChI=1S/C26H30F3NO2/c1-25(32,26(27,28)29)21-11-9-20(10-12-21)24(31)30(23-15-16-23)22-13-7-19(8-14-22)17-18-5-3-2-4-6-18/h2-6,9-12,19,22-23,32H,7-8,13-17H2,1H3/t19?,22?,25-/m0/s1.
What are the key properties of N-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 445.53 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 15986678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).