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

C18H13ClF2N2O3 — CID 155530708

IUPAC5-(4-chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H13ClF2N2O3/c1-18(10-2-4-11(19)5-3-10)16(25)23(17(26)22-18)9-15(24)13-7-6-12(20)8-14(13)21/h2-8H,9H2,1H3,(H,22,26)
InChIKeyPYZRTWFIQUTDNU-UHFFFAOYSA-N
MW378.76 g/mol
LogP3.27
Rot. Bonds4

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

5-(4-chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 155530708) has the molecular formula C18H13ClF2N2O3 and a molecular weight of 378.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID155530708
Molecular FormulaC18H13ClF2N2O3
Molecular Weight378.76 g/mol
Exact Mass378.06
IUPAC Name5-(4-chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H13ClF2N2O3/c1-18(10-2-4-11(19)5-3-10)16(25)23(17(26)22-18)9-15(24)13-7-6-12(20)8-14(13)21/h2-8H,9H2,1H3,(H,22,26)
InChIKeyPYZRTWFIQUTDNU-UHFFFAOYSA-N
XLogP3.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 46844314
N-[(E)-(R)-3-(1-Carbamoyl-cyclohexylcarbamoyl)-1-(4-chloro-benzyl)-allyl]-N-methyl-3,5-bis-trifluoromethyl-benzamide
CID 44335318
3-[(2-Chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2372698
N-[(4-chlorophenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2412458
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 2474665
3-[2-(4-Ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4790937
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide
CID 4785700
N-{[1-(4-Chloro-benzyl)-pyrrolidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide
CID 9889422
5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione
CID 11668295
(+/-)-5-((5-Chloro-1-oxoisoindolin-2-yl)methyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 11675173
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 24758046
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide
CID 24758174

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 155530708) is 5-(4-chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is PYZRTWFIQUTDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O3/c1-18(10-2-4-11(19)5-3-10)16(25)23(17(26)22-18)9-15(24)13-7-6-12(20)8-14(13)21/h2-8H,9H2,1H3,(H,22,26).
What are the key properties of 5-(4-chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(4-chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 378.76 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 155530708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).