N-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide

C18H17F6NO2 — CID 142017240

IUPACN-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1=CCCC=C1
InChIInChI=1S/C18H17F6NO2/c1-2-25(14-6-4-3-5-7-14)15(26)12-8-10-13(11-9-12)16(27,17(19,20)21)18(22,23)24/h4,6-11,27H,2-3,5H2,1H3
InChIKeySPSUMADIIFSIHU-UHFFFAOYSA-N
MW393.33 g/mol
LogP4.69
Rot. Bonds4

About N-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide

N-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide (PubChem CID 142017240) has the molecular formula C18H17F6NO2 and a molecular weight of 393.33 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide
PubChem CID142017240
Molecular FormulaC18H17F6NO2
Molecular Weight393.33 g/mol
Exact Mass393.12
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1=CCCC=C1
InChIInChI=1S/C18H17F6NO2/c1-2-25(14-6-4-3-5-7-14)15(26)12-8-10-13(11-9-12)16(27,17(19,20)21)18(22,23)24/h4,6-11,27H,2-3,5H2,1H3
InChIKeySPSUMADIIFSIHU-UHFFFAOYSA-N
XLogP4.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide (CID 142017240) is N-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide is CCN(C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide?
The InChIKey is SPSUMADIIFSIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6NO2/c1-2-25(14-6-4-3-5-7-14)15(26)12-8-10-13(11-9-12)16(27,17(19,20)21)18(22,23)24/h4,6-11,27H,2-3,5H2,1H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide?
N-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide has a molecular weight of 393.33 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 142017240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).