3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

C16H18ClN3O3 — CID 121159824

IUPAC3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(CCc1cccc(Cl)c1)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C16H18ClN3O3/c17-12-3-1-2-11(8-12)4-5-14(21)19-7-6-13(10-19)20-15(22)9-18-16(20)23/h1-3,8,13H,4-7,9-10H2,(H,18,23)
InChIKeyYXGIUTKGZXVYNE-UHFFFAOYSA-N
MW335.79 g/mol
LogP1.43
Rot. Bonds4

About 3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159824) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159824
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(CCc1cccc(Cl)c1)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C16H18ClN3O3/c17-12-3-1-2-11(8-12)4-5-14(21)19-7-6-13(10-19)20-15(22)9-18-16(20)23/h1-3,8,13H,4-7,9-10H2,(H,18,23)
InChIKeyYXGIUTKGZXVYNE-UHFFFAOYSA-N
XLogP1.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.43
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

3-[(3R)-1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727672
3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159925
3-[1-[3-(4-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159818
3-[1-[3-(3-bromo-4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159819
3-(3-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561954
(3S,4S)-1-[3-(3-chlorophenyl)propanoyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135095407
3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159909
3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159893
3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 121160272
3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121159452
3-(3-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 124589289
3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 121160042

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159824) is 3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione is O=C(CCc1cccc(Cl)c1)N1CCC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is YXGIUTKGZXVYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c17-12-3-1-2-11(8-12)4-5-14(21)19-7-6-13(10-19)20-15(22)9-18-16(20)23/h1-3,8,13H,4-7,9-10H2,(H,18,23).
What are the key properties of 3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 335.79 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).