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

C19H25ClFN3O2 — CID 46249807

IUPAC2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NC1CCCCCC1
InChIInChI=1S/C19H25ClFN3O2/c20-17-11-15(21)8-7-14(17)12-23-9-10-24(19(23)26)13-18(25)22-16-5-3-1-2-4-6-16/h7-8,11,16H,1-6,9-10,12-13H2,(H,22,25)
InChIKeyDJIUOYSUHYLVJE-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.56
Rot. Bonds5

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

2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide (PubChem CID 46249807) has the molecular formula C19H25ClFN3O2 and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
PubChem CID46249807
Molecular FormulaC19H25ClFN3O2
Molecular Weight381.88 g/mol
Exact Mass381.16
IUPAC Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NC1CCCCCC1
InChIInChI=1S/C19H25ClFN3O2/c20-17-11-15(21)8-7-14(17)12-23-9-10-24(19(23)26)13-18(25)22-16-5-3-1-2-4-6-16/h7-8,11,16H,1-6,9-10,12-13H2,(H,22,25)
InChIKeyDJIUOYSUHYLVJE-UHFFFAOYSA-N
XLogP3.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.56
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-propylacetamide
CID 87049831
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-[(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-oxo-1,3-diazinan-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 20968800
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-cyclopropylacetamide
CID 91653850
N-cyclopentyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 3575531
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
5-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclohexylpentanamide
CID 50742858
1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 4099290
2-[7-[(2-chlorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-cyclohexylacetamide
CID 166604038
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 33103568

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide?
The IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide (CID 46249807) is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide is O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NC1CCCCCC1.
What is the InChIKey of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide?
The InChIKey is DJIUOYSUHYLVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClFN3O2/c20-17-11-15(21)8-7-14(17)12-23-9-10-24(19(23)26)13-18(25)22-16-5-3-1-2-4-6-16/h7-8,11,16H,1-6,9-10,12-13H2,(H,22,25).
What are the key properties of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide?
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide has a molecular weight of 381.88 g/mol, XLogP of 3.56, 5 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-cycloheptylacetamide is sourced from PubChem (CID 46249807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).