N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C20H20FN3O4 — CID 4805308

IUPACN-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C20H20FN3O4/c1-20(14-5-9-16(28-2)10-6-14)18(26)24(19(27)23-20)12-17(25)22-11-13-3-7-15(21)8-4-13/h3-10H,11-12H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyANVXHHFASFTGLJ-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.92
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4805308) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4805308
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C20H20FN3O4/c1-20(14-5-9-16(28-2)10-6-14)18(26)24(19(27)23-20)12-17(25)22-11-13-3-7-15(21)8-4-13/h3-10H,11-12H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyANVXHHFASFTGLJ-UHFFFAOYSA-N
XLogP1.92
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(2S,5R)-5-(4-((2-Fluorophenyl)methoxy)phenyl)-2-pyrrolidinecarboxamide
CID 16046068
Hydantoin, 5-(p-isopentoxyphenyl)-5-methyl-
CID 2835307
5-(4-Butoxyphenyl)-5-methyl-2,4-imidazolidinedione
CID 50211
Vixotrigine Hydrochloride
CID 16046067
5-(4-Methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 211351
5-(4-Butoxyphenyl)-2-hydroxy-3,5-dimethyl-3,5-dihydro-4H-imidazol-4-one
CID 3077547
N-[(4-methoxyphenyl)(2-phenylacetamido)methyl]-2-phenylacetamide
CID 991033
5,5-Bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 2339366
(R)-5-((4-fluorophenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 17754304
(R)-5-((3-fluorophenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 17754779
(R)-5-(4-fluorophenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 46845559
(R)-5-((2-fluorophenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52942483

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4805308) is N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ANVXHHFASFTGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-20(14-5-9-16(28-2)10-6-14)18(26)24(19(27)23-20)12-17(25)22-11-13-3-7-15(21)8-4-13/h3-10H,11-12H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 385.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4805308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).