2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

C18H20ClN3O2 — CID 91626255

IUPAC2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H20ClN3O2/c19-14-4-2-13(3-5-14)12-17(23)22-15-6-8-16(9-7-15)24-18-20-10-1-11-21-18/h1-5,10-11,15-16H,6-9,12H2,(H,22,23)
InChIKeyKCEZLBXRACILEV-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.18
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (PubChem CID 91626255) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
PubChem CID91626255
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H20ClN3O2/c19-14-4-2-13(3-5-14)12-17(23)22-15-6-8-16(9-7-15)24-18-20-10-1-11-21-18/h1-5,10-11,15-16H,6-9,12H2,(H,22,23)
InChIKeyKCEZLBXRACILEV-UHFFFAOYSA-N
XLogP3.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90633413
2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633306
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733
2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633440
5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633270
5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide
CID 91626280
2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626250
2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633295
2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633748
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626284
1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633471

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (CID 91626255) is 2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is O=C(Cc1ccc(Cl)cc1)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The InChIKey is KCEZLBXRACILEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-14-4-2-13(3-5-14)12-17(23)22-15-6-8-16(9-7-15)24-18-20-10-1-11-21-18/h1-5,10-11,15-16H,6-9,12H2,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide has a molecular weight of 345.83 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is sourced from PubChem (CID 91626255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).