2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate

C12H11ClFN2O3- — CID 4166545

IUPAC2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate
SMILESO=C([O-])CN1CCN(Cc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C12H12ClFN2O3/c13-10-5-9(14)2-1-8(10)6-15-3-4-16(12(15)19)7-11(17)18/h1-2,5H,3-4,6-7H2,(H,17,18)/p-1
InChIKeyZOTKRPMYHQFGQP-UHFFFAOYSA-M
MW285.68 g/mol
LogP0.47
Rot. Bonds4

About 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate

2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate (PubChem CID 4166545) has the molecular formula C12H11ClFN2O3- and a molecular weight of 285.68 g/mol. Its IUPAC name is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate
PubChem CID4166545
Molecular FormulaC12H11ClFN2O3-
Molecular Weight285.68 g/mol
Exact Mass285.04
IUPAC Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate
SMILESO=C([O-])CN1CCN(Cc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C12H12ClFN2O3/c13-10-5-9(14)2-1-8(10)6-15-3-4-16(12(15)19)7-11(17)18/h1-2,5H,3-4,6-7H2,(H,17,18)/p-1
InChIKeyZOTKRPMYHQFGQP-UHFFFAOYSA-M
XLogP0.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.68
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide
CID 87049831
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 6621641
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 46249807
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5307864
1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one
CID 4266316
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 20968800
1-[(2-chloro-4-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 3447807
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
1-[(2-chloro-4-fluorophenyl)methyl]-4-nitropyrrole-2-carboxylic acid
CID 61292950
N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 51199670
1-[(2-chloro-4-fluorophenyl)methyl]-3-ethoxy-3-methylpyrrolidin-2-one
CID 174615665
6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 37385330

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate?
The IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate (CID 4166545) is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate.
What is the SMILES notation for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate?
The canonical SMILES for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate is O=C([O-])CN1CCN(Cc2ccc(F)cc2Cl)C1=O.
What is the InChIKey of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate?
The InChIKey is ZOTKRPMYHQFGQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12ClFN2O3/c13-10-5-9(14)2-1-8(10)6-15-3-4-16(12(15)19)7-11(17)18/h1-2,5H,3-4,6-7H2,(H,17,18)/p-1.
What are the key properties of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate?
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 285.68 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 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]acetate is sourced from PubChem (CID 4166545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).