2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide

C18H19Cl2N3O3 — CID 90633733

IUPAC2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1CCC(Oc2ncc(Cl)cn2)CC1
InChIInChI=1S/C18H19Cl2N3O3/c19-12-1-5-15(6-2-12)25-11-17(24)23-14-3-7-16(8-4-14)26-18-21-9-13(20)10-22-18/h1-2,5-6,9-10,14,16H,3-4,7-8,11H2,(H,23,24)
InChIKeyKDHQZCIXTGBASQ-UHFFFAOYSA-N
MW396.27 g/mol
LogP3.67
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide

2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide (PubChem CID 90633733) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
PubChem CID90633733
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC Name2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1CCC(Oc2ncc(Cl)cn2)CC1
InChIInChI=1S/C18H19Cl2N3O3/c19-12-1-5-15(6-2-12)25-11-17(24)23-14-3-7-16(8-4-14)26-18-21-9-13(20)10-22-18/h1-2,5-6,9-10,14,16H,3-4,7-8,11H2,(H,23,24)
InChIKeyKDHQZCIXTGBASQ-UHFFFAOYSA-N
XLogP3.67
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide
CID 90633747
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(3-methoxyphenoxy)acetamide
CID 90633739
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide
CID 90634353
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide
CID 90446748
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633295
2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633748
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide (CID 90633733) is 2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide is O=C(COc1ccc(Cl)cc1)NC1CCC(Oc2ncc(Cl)cn2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide?
The InChIKey is KDHQZCIXTGBASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c19-12-1-5-15(6-2-12)25-11-17(24)23-14-3-7-16(8-4-14)26-18-21-9-13(20)10-22-18/h1-2,5-6,9-10,14,16H,3-4,7-8,11H2,(H,23,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide?
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide has a molecular weight of 396.27 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide is sourced from PubChem (CID 90633733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).