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

C14H14ClN3O3 — CID 121159925

IUPAC3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(c1cccc(Cl)c1)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C14H14ClN3O3/c15-10-3-1-2-9(6-10)13(20)17-5-4-11(8-17)18-12(19)7-16-14(18)21/h1-3,6,11H,4-5,7-8H2,(H,16,21)
InChIKeyWKRXXBZWNYIBGQ-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.11
Rot. Bonds2

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

3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159925) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159925
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(c1cccc(Cl)c1)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C14H14ClN3O3/c15-10-3-1-2-9(6-10)13(20)17-5-4-11(8-17)18-12(19)7-16-14(18)21/h1-3,6,11H,4-5,7-8H2,(H,16,21)
InChIKeyWKRXXBZWNYIBGQ-UHFFFAOYSA-N
XLogP1.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.11
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-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159953
3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159824
3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159752
3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159693
3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159746
3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017220
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 121160272
3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159909
3-[1-(4-oxochromene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159763
3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159764
6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082608

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159925) is 3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is O=C(c1cccc(Cl)c1)N1CCC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is WKRXXBZWNYIBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c15-10-3-1-2-9(6-10)13(20)17-5-4-11(8-17)18-12(19)7-16-14(18)21/h1-3,6,11H,4-5,7-8H2,(H,16,21).
What are the key properties of 3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 307.74 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).