3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide

C18H15F2N3O3 — CID 55631250

IUPAC3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
SMILESCC1(c2ccc(F)c(F)c2)NC(=O)N(Cc2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C18H15F2N3O3/c1-18(12-5-6-13(19)14(20)8-12)16(25)23(17(26)22-18)9-10-3-2-4-11(7-10)15(21)24/h2-8H,9H2,1H3,(H2,21,24)(H,22,26)
InChIKeyLMZITJNJUCLJPH-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.03
Rot. Bonds4

About 3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide

3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide (PubChem CID 55631250) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
PubChem CID55631250
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
SMILESCC1(c2ccc(F)c(F)c2)NC(=O)N(Cc2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C18H15F2N3O3/c1-18(12-5-6-13(19)14(20)8-12)16(25)23(17(26)22-18)9-10-3-2-4-11(7-10)15(21)24/h2-8H,9H2,1H3,(H2,21,24)(H,22,26)
InChIKeyLMZITJNJUCLJPH-UHFFFAOYSA-N
XLogP2.03
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 55631679
3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46641069
5-(3,4-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 16570909
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55435825
(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 92799825
methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 41135174
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 25437321
5-(4-fluorophenyl)-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 51259391
4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 17410105
5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 24523455
5-(3,4-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529191
4-[[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 94798623

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The IUPAC name of 3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide (CID 55631250) is 3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide is CC1(c2ccc(F)c(F)c2)NC(=O)N(Cc2cccc(C(N)=O)c2)C1=O.
What is the InChIKey of 3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The InChIKey is LMZITJNJUCLJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-18(12-5-6-13(19)14(20)8-12)16(25)23(17(26)22-18)9-10-3-2-4-11(7-10)15(21)24/h2-8H,9H2,1H3,(H2,21,24)(H,22,26).
What are the key properties of 3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide has a molecular weight of 359.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 55631250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).