N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide

C21H20FN3O3 — CID 53490509

IUPACN-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)c1
InChIInChI=1S/C21H20FN3O3/c1-13(26)15-5-4-6-17(11-15)23-18(27)12-25-20(28)19(24-21(25,2)3)14-7-9-16(22)10-8-14/h4-11H,12H2,1-3H3,(H,23,27)
InChIKeyRSMLAEDZHYHIEP-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.03
Rot. Bonds5

About N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide

N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide (PubChem CID 53490509) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
PubChem CID53490509
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)c1
InChIInChI=1S/C21H20FN3O3/c1-13(26)15-5-4-6-17(11-15)23-18(27)12-25-20(28)19(24-21(25,2)3)14-7-9-16(22)10-8-14/h4-11H,12H2,1-3H3,(H,23,27)
InChIKeyRSMLAEDZHYHIEP-UHFFFAOYSA-N
XLogP3.03
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 23603236
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 23603223
N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 53490490
N-(3,5-dimethoxyphenyl)-2-(2,2-dimethyl-5-oxo-4-phenylimidazol-1-yl)acetamide
CID 2141008
2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 2138600
N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide
CID 7184194
N-(3-acetylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2547789
N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
CID 161365092
2-[4-(4-chlorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 2150090
2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
CID 160593756
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365031
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide (CID 53490509) is N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide is CC(=O)c1cccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
The InChIKey is RSMLAEDZHYHIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-13(26)15-5-4-6-17(11-15)23-18(27)12-25-20(28)19(24-21(25,2)3)14-7-9-16(22)10-8-14/h4-11H,12H2,1-3H3,(H,23,27).
What are the key properties of N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide has a molecular weight of 381.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide is sourced from PubChem (CID 53490509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).