N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide

C21H22FN3O3 — CID 7184202

IUPACN-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1
InChIInChI=1S/C21H22FN3O3/c1-4-28-17-11-9-16(10-12-17)23-18(26)13-25-20(27)19(24-21(25,2)3)14-5-7-15(22)8-6-14/h5-12H,4,13H2,1-3H3,(H,23,26)
InChIKeyVGNOQQVXFSUKOP-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.23
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide (PubChem CID 7184202) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
PubChem CID7184202
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1
InChIInChI=1S/C21H22FN3O3/c1-4-28-17-11-9-16(10-12-17)23-18(26)13-25-20(27)19(24-21(25,2)3)14-5-7-15(22)8-6-14/h5-12H,4,13H2,1-3H3,(H,23,26)
InChIKeyVGNOQQVXFSUKOP-UHFFFAOYSA-N
XLogP3.23
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide (CID 7184202) is N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide is CCOc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
The InChIKey is VGNOQQVXFSUKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-4-28-17-11-9-16(10-12-17)23-18(26)13-25-20(27)19(24-21(25,2)3)14-5-7-15(22)8-6-14/h5-12H,4,13H2,1-3H3,(H,23,26).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide has a molecular weight of 383.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide is sourced from PubChem (CID 7184202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).