2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C19H24ClFN4O3 — CID 20851444

IUPAC2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCCCN1CCCC1=O
InChIInChI=1S/C19H24ClFN4O3/c20-16-11-15(21)5-4-14(16)12-24-9-10-25(19(24)28)13-17(26)22-6-2-8-23-7-1-3-18(23)27/h4-5,11H,1-3,6-10,12-13H2,(H,22,26)
InChIKeyMUZYYVXGAZVKFP-UHFFFAOYSA-N
MW410.88 g/mol
LogP1.85
Rot. Bonds8

About 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 20851444) has the molecular formula C19H24ClFN4O3 and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID20851444
Molecular FormulaC19H24ClFN4O3
Molecular Weight410.88 g/mol
Exact Mass410.15
IUPAC Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCCCN1CCCC1=O
InChIInChI=1S/C19H24ClFN4O3/c20-16-11-15(21)5-4-14(16)12-24-9-10-25(19(24)28)13-17(26)22-6-2-8-23-7-1-3-18(23)27/h4-5,11H,1-3,6-10,12-13H2,(H,22,26)
InChIKeyMUZYYVXGAZVKFP-UHFFFAOYSA-N
XLogP1.85
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 20851444) is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCCCN1CCCC1=O.
What is the InChIKey of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is MUZYYVXGAZVKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN4O3/c20-16-11-15(21)5-4-14(16)12-24-9-10-25(19(24)28)13-17(26)22-6-2-8-23-7-1-3-18(23)27/h4-5,11H,1-3,6-10,12-13H2,(H,22,26).
What are the key properties of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 410.88 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 20851444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).