N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide

C24H24FN3O3 — CID 90634353

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C24H24FN3O3/c25-19-14-26-24(27-15-19)31-22-12-8-20(9-13-22)28-23(29)16-30-21-10-6-18(7-11-21)17-4-2-1-3-5-17/h1-7,10-11,14-15,20,22H,8-9,12-13,16H2,(H,28,29)
InChIKeyCAFMMGMANJNSLA-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.17
Rot. Bonds7

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide (PubChem CID 90634353) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide
PubChem CID90634353
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C24H24FN3O3/c25-19-14-26-24(27-15-19)31-22-12-8-20(9-13-22)28-23(29)16-30-21-10-6-18(7-11-21)17-4-2-1-3-5-17/h1-7,10-11,14-15,20,22H,8-9,12-13,16H2,(H,28,29)
InChIKeyCAFMMGMANJNSLA-UHFFFAOYSA-N
XLogP4.17
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenoxy)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634253
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide
CID 90633747
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 91626381
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626367
2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633295
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide
CID 91626407
4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
CID 90634187
1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea
CID 90634472
4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634200
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-indol-1-ylacetamide
CID 90634118
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide (CID 90634353) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide is O=C(COc1ccc(-c2ccccc2)cc1)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide?
The InChIKey is CAFMMGMANJNSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-19-14-26-24(27-15-19)31-22-12-8-20(9-13-22)28-23(29)16-30-21-10-6-18(7-11-21)17-4-2-1-3-5-17/h1-7,10-11,14-15,20,22H,8-9,12-13,16H2,(H,28,29).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide has a molecular weight of 421.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 90634353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).