4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide

C19H17F6NO2 — CID 11632811

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide
SMILESCN(CCc1ccccc1)C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H17F6NO2/c1-26(12-11-13-5-3-2-4-6-13)16(27)14-7-9-15(10-8-14)17(28,18(20,21)22)19(23,24)25/h2-10,28H,11-12H2,1H3
InChIKeyYDPBSJKOADFTFY-UHFFFAOYSA-N
MW405.34 g/mol
LogP4.31
Rot. Bonds5

About 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide (PubChem CID 11632811) has the molecular formula C19H17F6NO2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide
PubChem CID11632811
Molecular FormulaC19H17F6NO2
Molecular Weight405.34 g/mol
Exact Mass405.12
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide
SMILESCN(CCc1ccccc1)C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H17F6NO2/c1-26(12-11-13-5-3-2-4-6-13)16(27)14-7-9-15(10-8-14)17(28,18(20,21)22)19(23,24)25/h2-10,28H,11-12H2,1H3
InChIKeyYDPBSJKOADFTFY-UHFFFAOYSA-N
XLogP4.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)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 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide (CID 11632811) is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide is CN(CCc1ccccc1)C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is YDPBSJKOADFTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6NO2/c1-26(12-11-13-5-3-2-4-6-13)16(27)14-7-9-15(10-8-14)17(28,18(20,21)22)19(23,24)25/h2-10,28H,11-12H2,1H3.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide?
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 405.34 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 11632811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).