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

C15H19ClFN3O2 — CID 87049831

IUPAC2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C15H19ClFN3O2/c1-2-5-18-14(21)10-20-7-6-19(15(20)22)9-11-3-4-12(17)8-13(11)16/h3-4,8H,2,5-7,9-10H2,1H3,(H,18,21)
InChIKeyISZHWQBNIDLODL-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.24
Rot. Bonds6

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

2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide (PubChem CID 87049831) has the molecular formula C15H19ClFN3O2 and a molecular weight of 327.79 g/mol. Its IUPAC name is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide
PubChem CID87049831
Molecular FormulaC15H19ClFN3O2
Molecular Weight327.79 g/mol
Exact Mass327.11
IUPAC Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C15H19ClFN3O2/c1-2-5-18-14(21)10-20-7-6-19(15(20)22)9-11-3-4-12(17)8-13(11)16/h3-4,8H,2,5-7,9-10H2,1H3,(H,18,21)
InChIKeyISZHWQBNIDLODL-UHFFFAOYSA-N
XLogP2.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(3-morpholin-4-ylpropyl)acetamide
CID 5307864
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetate
CID 4166545
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 46249807
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 20968800
2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 3466261
4-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperazine-1-carbothioamide
CID 19574293
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 87049850
2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 15994320
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4287057
1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one
CID 4266316
N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 51199670

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide (CID 87049831) is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O.
What is the InChIKey of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide?
The InChIKey is ISZHWQBNIDLODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O2/c1-2-5-18-14(21)10-20-7-6-19(15(20)22)9-11-3-4-12(17)8-13(11)16/h3-4,8H,2,5-7,9-10H2,1H3,(H,18,21).
What are the key properties of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide?
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide has a molecular weight of 327.79 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 87049831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).