2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide

C20H21F2NO2 — CID 110629945

IUPAC2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
SMILESCC(O)(CNC(=O)C(c1ccc(F)cc1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C20H21F2NO2/c1-20(25,15-6-10-17(22)11-7-15)12-23-19(24)18(13-2-3-13)14-4-8-16(21)9-5-14/h4-11,13,18,25H,2-3,12H2,1H3,(H,23,24)
InChIKeyZASZDYPAMHTPMB-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.48
Rot. Bonds6

About 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide

2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide (PubChem CID 110629945) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
PubChem CID110629945
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
SMILESCC(O)(CNC(=O)C(c1ccc(F)cc1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C20H21F2NO2/c1-20(25,15-6-10-17(22)11-7-15)12-23-19(24)18(13-2-3-13)14-4-8-16(21)9-5-14/h4-11,13,18,25H,2-3,12H2,1H3,(H,23,24)
InChIKeyZASZDYPAMHTPMB-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide (CID 110629945) is 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide is CC(O)(CNC(=O)C(c1ccc(F)cc1)C1CC1)c1ccc(F)cc1.
What is the InChIKey of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide?
The InChIKey is ZASZDYPAMHTPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-20(25,15-6-10-17(22)11-7-15)12-23-19(24)18(13-2-3-13)14-4-8-16(21)9-5-14/h4-11,13,18,25H,2-3,12H2,1H3,(H,23,24).
What are the key properties of 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide?
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide has a molecular weight of 345.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 110629945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).