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

C20H16ClF4N3O2 — CID 53490484

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
SMILESCC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C20H16ClF4N3O2/c1-19(2)27-17(11-3-6-13(22)7-4-11)18(30)28(19)10-16(29)26-15-9-12(20(23,24)25)5-8-14(15)21/h3-9H,10H2,1-2H3,(H,26,29)
InChIKeyRQIXXOXFLVOZME-UHFFFAOYSA-N
MW441.81 g/mol
LogP4.50
Rot. Bonds4

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide (PubChem CID 53490484) has the molecular formula C20H16ClF4N3O2 and a molecular weight of 441.81 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
PubChem CID53490484
Molecular FormulaC20H16ClF4N3O2
Molecular Weight441.81 g/mol
Exact Mass441.09
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
SMILESCC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C20H16ClF4N3O2/c1-19(2)27-17(11-3-6-13(22)7-4-11)18(30)28(19)10-16(29)26-15-9-12(20(23,24)25)5-8-14(15)21/h3-9H,10H2,1-2H3,(H,26,29)
InChIKeyRQIXXOXFLVOZME-UHFFFAOYSA-N
XLogP4.50
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.81
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 23603186
N-(3,4-difluorophenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 23603236
2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 2138600
N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 53490509
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 23603223
N-(2-chloro-4-methylphenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 53366709
N-(2-fluoro-5-methylphenyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24743623
2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 722242
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194773
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
CID 109037746
N-(3,5-dimethoxyphenyl)-2-(2,2-dimethyl-5-oxo-4-phenylimidazol-1-yl)acetamide
CID 2141008
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 50746355

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide (CID 53490484) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide is CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
The InChIKey is RQIXXOXFLVOZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF4N3O2/c1-19(2)27-17(11-3-6-13(22)7-4-11)18(30)28(19)10-16(29)26-15-9-12(20(23,24)25)5-8-14(15)21/h3-9H,10H2,1-2H3,(H,26,29).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide has a molecular weight of 441.81 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide is sourced from PubChem (CID 53490484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).