(5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione

C14H12Cl2F2N2O2 — CID 30343761

IUPAC(5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2cc(F)ccc2F)NC(=O)N(C[C@H]2CC2(Cl)Cl)C1=O
InChIInChI=1S/C14H12Cl2F2N2O2/c1-13(9-4-8(17)2-3-10(9)18)11(21)20(12(22)19-13)6-7-5-14(7,15)16/h2-4,7H,5-6H2,1H3,(H,19,22)/t7-,13+/m1/s1
InChIKeyXAFUWAUNQJUWLH-UHLUBPPHSA-N
MW349.16 g/mol
LogP2.93
Rot. Bonds3

About (5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 30343761) has the molecular formula C14H12Cl2F2N2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is (5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID30343761
Molecular FormulaC14H12Cl2F2N2O2
Molecular Weight349.16 g/mol
Exact Mass348.02
IUPAC Name(5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2cc(F)ccc2F)NC(=O)N(C[C@H]2CC2(Cl)Cl)C1=O
InChIInChI=1S/C14H12Cl2F2N2O2/c1-13(9-4-8(17)2-3-10(9)18)11(21)20(12(22)19-13)6-7-5-14(7,15)16/h2-4,7H,5-6H2,1H3,(H,19,22)/t7-,13+/m1/s1
InChIKeyXAFUWAUNQJUWLH-UHLUBPPHSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183
5-(2,5-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529238
3-[(2,2-dichlorocyclopropyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 43022994
5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione
CID 111469955
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
(5R)-3-[2-(4-chlorophenoxy)ethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562071
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7801378
5-(2,5-difluorophenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 46824039
3-[(4-bromo-2-fluorophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 55374656
(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7562098
3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 18171161
2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7801402

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione (CID 30343761) is (5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione is C[C@@]1(c2cc(F)ccc2F)NC(=O)N(C[C@H]2CC2(Cl)Cl)C1=O.
What is the InChIKey of (5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is XAFUWAUNQJUWLH-UHLUBPPHSA-N. The full InChI is InChI=1S/C14H12Cl2F2N2O2/c1-13(9-4-8(17)2-3-10(9)18)11(21)20(12(22)19-13)6-7-5-14(7,15)16/h2-4,7H,5-6H2,1H3,(H,19,22)/t7-,13+/m1/s1.
What are the key properties of (5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 349.16 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[(1R)-2,2-dichlorocyclopropyl]methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 30343761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).