2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide

C20H26F2N4O2 — CID 121440220

IUPAC2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide
SMILESCCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1(F)F
InChIInChI=1S/C20H26F2N4O2/c1-5-25(10-11-26-23-13(2)17(24-26)19(3,4)28)18(27)15-9-7-6-8-14(15)16-12-20(16,21)22/h6-9,16,28H,5,10-12H2,1-4H3
InChIKeyXUOBRUKICKHUNG-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.10
Rot. Bonds7

About 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide

2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide (PubChem CID 121440220) has the molecular formula C20H26F2N4O2 and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide
PubChem CID121440220
Molecular FormulaC20H26F2N4O2
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC Name2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide
SMILESCCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1(F)F
InChIInChI=1S/C20H26F2N4O2/c1-5-25(10-11-26-23-13(2)17(24-26)19(3,4)28)18(27)15-9-7-6-8-14(15)16-12-20(16,21)22/h6-9,16,28H,5,10-12H2,1-4H3
InChIKeyXUOBRUKICKHUNG-UHFFFAOYSA-N
XLogP3.10
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3-triazol-2-yl)-2-methylpiperidin-1-yl)(2-(2,2,2-trifluoroethyl)phenyl)methanone
CID 121313968
2-{2-[(3R,6R)-1-({2-[(1R)-2,2-difluorocyclopropyl]phenyl}carbonyl)-6-methylpiperidin-3-yl]-2H-1,2,3-triazol-4-yl}propan-2-ol
CID 121314118
2-{2-[(3R,6R)-1-({2-[(1S)-2,2-difluorocyclopropyl]phenyl}carbonyl)-6-methylpiperidin-3-yl]-2H-1,2,3-triazol-4-yl}propan-2-ol
CID 121314129
US10155750, Example 37
CID 121440225
US10155750, Example 34
CID 121440242
(2-Cyclopropylphenyl)((2R,5R)-5-(4-(2-hydroxypropan-2-yl)-2H-1,2,3-triazol-2-yl)-2-methylpiperidin-1-yl)methanone
CID 121305920
2-(2-{(3R,6R)-1-[(2-Cyclopropylphenyl)carbonyl]-6-methylpiperidin-3-yl}-5-methyl-2H-1,2,3-triazol-4-yl)propan-2-ol
CID 121314100
((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3-triazol-2-yl)-2-methylpiperidin-1-yl)(2-isopropylphenyl)methanone
CID 121314120
[1,1''-Biphenyl]-2-yl((2R,5R)-5-(4-(2-hydroxypropan-2-yl)-2H-1,2,3-triazol-2-yl)-2-methylpiperidin-1-yl)methanone
CID 121314134
((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3-triazol-2-yl)-2-methylpiperidin-1-yl)(2-propylphenyl)methanone
CID 121314136
1-(2-((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3-triazol-2-yl)-2-methylpiperidine-1-carbonyl)phenyl)cyclopropanecarbonitrile
CID 121314147
US10155750, Example 4
CID 121437552

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide (CID 121440220) is 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide is CCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide?
The InChIKey is XUOBRUKICKHUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2/c1-5-25(10-11-26-23-13(2)17(24-26)19(3,4)28)18(27)15-9-7-6-8-14(15)16-12-20(16,21)22/h6-9,16,28H,5,10-12H2,1-4H3.
What are the key properties of 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide?
2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide has a molecular weight of 392.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 121440220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).