3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione

C17H13ClF2N2O2 — CID 46641069

IUPAC3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)c(F)c2)NC(=O)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C17H13ClF2N2O2/c1-17(11-5-6-13(19)14(20)8-11)15(23)22(16(24)21-17)9-10-3-2-4-12(18)7-10/h2-8H,9H2,1H3,(H,21,24)
InChIKeyDCEHJKCVXISAKL-UHFFFAOYSA-N
MW350.75 g/mol
LogP3.59
Rot. Bonds3

About 3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione

3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 46641069) has the molecular formula C17H13ClF2N2O2 and a molecular weight of 350.75 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID46641069
Molecular FormulaC17H13ClF2N2O2
Molecular Weight350.75 g/mol
Exact Mass350.06
IUPAC Name3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)c(F)c2)NC(=O)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C17H13ClF2N2O2/c1-17(11-5-6-13(19)14(20)8-11)15(23)22(16(24)21-17)9-10-3-2-4-12(18)7-10/h2-8H,9H2,1H3,(H,21,24)
InChIKeyDCEHJKCVXISAKL-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 16570909
3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 55631250
4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 42964355
N-[(3-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 24523481
5-(1,3-benzodioxol-5-yl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17450276
(5R)-5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2479691
5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3894846
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 92799825
(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
3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24520488

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione (CID 46641069) is 3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(F)c(F)c2)NC(=O)N(Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is DCEHJKCVXISAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O2/c1-17(11-5-6-13(19)14(20)8-11)15(23)22(16(24)21-17)9-10-3-2-4-12(18)7-10/h2-8H,9H2,1H3,(H,21,24).
What are the key properties of 3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 350.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 46641069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).