2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide

C14H14ClF3N4O2 — CID 18700284

IUPAC2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide
SMILESCC(Oc1ncnc(C(F)(F)F)c1Cl)C(=O)NC1(C#N)CCCC1
InChIInChI=1S/C14H14ClF3N4O2/c1-8(11(23)22-13(6-19)4-2-3-5-13)24-12-9(15)10(14(16,17)18)20-7-21-12/h7-8H,2-5H2,1H3,(H,22,23)
InChIKeyOYFKBQKYEZVCCX-UHFFFAOYSA-N
MW362.74 g/mol
LogP2.87
Rot. Bonds4

About 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide

2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide (PubChem CID 18700284) has the molecular formula C14H14ClF3N4O2 and a molecular weight of 362.74 g/mol. Its IUPAC name is 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide.

Molecular Properties

Compound Name2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide
PubChem CID18700284
Molecular FormulaC14H14ClF3N4O2
Molecular Weight362.74 g/mol
Exact Mass362.08
IUPAC Name2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide
SMILESCC(Oc1ncnc(C(F)(F)F)c1Cl)C(=O)NC1(C#N)CCCC1
InChIInChI=1S/C14H14ClF3N4O2/c1-8(11(23)22-13(6-19)4-2-3-5-13)24-12-9(15)10(14(16,17)18)20-7-21-12/h7-8H,2-5H2,1H3,(H,22,23)
InChIKeyOYFKBQKYEZVCCX-UHFFFAOYSA-N
XLogP2.87
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide?
The IUPAC name of 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide (CID 18700284) is 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide.
What is the SMILES notation for 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide?
The canonical SMILES for 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide is CC(Oc1ncnc(C(F)(F)F)c1Cl)C(=O)NC1(C#N)CCCC1.
What is the InChIKey of 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide?
The InChIKey is OYFKBQKYEZVCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4O2/c1-8(11(23)22-13(6-19)4-2-3-5-13)24-12-9(15)10(14(16,17)18)20-7-21-12/h7-8H,2-5H2,1H3,(H,22,23).
What are the key properties of 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide?
2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide has a molecular weight of 362.74 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(1-cyanocyclopentyl)propanamide is sourced from PubChem (CID 18700284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).