N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide

C19H20F3N3O2 — CID 90633413

IUPACN-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)14-4-2-13(3-5-14)12-17(26)25-15-6-8-16(9-7-15)27-18-23-10-1-11-24-18/h1-5,10-11,15-16H,6-9,12H2,(H,25,26)
InChIKeyINVVUJOPJPKZEP-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.54
Rot. Bonds5

About N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 90633413) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID90633413
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)14-4-2-13(3-5-14)12-17(26)25-15-6-8-16(9-7-15)27-18-23-10-1-11-24-18/h1-5,10-11,15-16H,6-9,12H2,(H,25,26)
InChIKeyINVVUJOPJPKZEP-UHFFFAOYSA-N
XLogP3.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633306
N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
CID 90633279
2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633440
2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633295
2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626250
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626284
1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 91626320
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
N-(4-pyrimidin-2-yloxycyclohexyl)cyclopentanecarboxamide
CID 90633226
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 90633413) is N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is INVVUJOPJPKZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)14-4-2-13(3-5-14)12-17(26)25-15-6-8-16(9-7-15)27-18-23-10-1-11-24-18/h1-5,10-11,15-16H,6-9,12H2,(H,25,26).
What are the key properties of N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 379.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90633413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).