N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide

C22H26FN5O4 — CID 90634432

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)NC2CCC(Oc3ncc(F)cn3)CC2)C1=O
InChIInChI=1S/C22H26FN5O4/c1-31-19-5-3-2-4-18(19)28-11-10-27(22(28)30)14-20(29)26-16-6-8-17(9-7-16)32-21-24-12-15(23)13-25-21/h2-5,12-13,16-17H,6-11,14H2,1H3,(H,26,29)
InChIKeyVLKVLKHIFZOAQB-UHFFFAOYSA-N
MW443.48 g/mol
LogP2.37
Rot. Bonds7

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 90634432) has the molecular formula C22H26FN5O4 and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide
PubChem CID90634432
Molecular FormulaC22H26FN5O4
Molecular Weight443.48 g/mol
Exact Mass443.20
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)NC2CCC(Oc3ncc(F)cn3)CC2)C1=O
InChIInChI=1S/C22H26FN5O4/c1-31-19-5-3-2-4-18(19)28-11-10-27(22(28)30)14-20(29)26-16-6-8-17(9-7-16)32-21-24-12-15(23)13-25-21/h2-5,12-13,16-17H,6-11,14H2,1H3,(H,26,29)
InChIKeyVLKVLKHIFZOAQB-UHFFFAOYSA-N
XLogP2.37
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633456
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide
CID 90634935
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide
CID 91626407
2-(2-fluorophenoxy)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634253
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626367
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-indol-1-ylacetamide
CID 90634118
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide
CID 90634353
2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634938
N-cyclopentyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
CID 118937554
4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
CID 90634187
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
ethyl 2-[[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]amino]-2-oxoacetate
CID 90634183

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide (CID 90634432) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide is COc1ccccc1N1CCN(CC(=O)NC2CCC(Oc3ncc(F)cn3)CC2)C1=O.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is VLKVLKHIFZOAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O4/c1-31-19-5-3-2-4-18(19)28-11-10-27(22(28)30)14-20(29)26-16-6-8-17(9-7-16)32-21-24-12-15(23)13-25-21/h2-5,12-13,16-17H,6-11,14H2,1H3,(H,26,29).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 443.48 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 90634432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).