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

C18H19ClFN3O3 — CID 90633747

IUPACN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NC1CCC(Oc2ncc(Cl)cn2)CC1
InChIInChI=1S/C18H19ClFN3O3/c19-12-9-21-18(22-10-12)26-16-7-3-14(4-8-16)23-17(24)11-25-15-5-1-13(20)2-6-15/h1-2,5-6,9-10,14,16H,3-4,7-8,11H2,(H,23,24)
InChIKeySZSHJKHGEZERHK-UHFFFAOYSA-N
MW379.82 g/mol
LogP3.15
Rot. Bonds6

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

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 90633747) has the molecular formula C18H19ClFN3O3 and a molecular weight of 379.82 g/mol. Its IUPAC name is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide
PubChem CID90633747
Molecular FormulaC18H19ClFN3O3
Molecular Weight379.82 g/mol
Exact Mass379.11
IUPAC NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NC1CCC(Oc2ncc(Cl)cn2)CC1
InChIInChI=1S/C18H19ClFN3O3/c19-12-9-21-18(22-10-12)26-16-7-3-14(4-8-16)23-17(24)11-25-15-5-1-13(20)2-6-15/h1-2,5-6,9-10,14,16H,3-4,7-8,11H2,(H,23,24)
InChIKeySZSHJKHGEZERHK-UHFFFAOYSA-N
XLogP3.15
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide
CID 90634353
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(3-methoxyphenoxy)acetamide
CID 90633739
2-(2-fluorophenoxy)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634253
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626367
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
CID 90634187
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
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 N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide (CID 90633747) is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)NC1CCC(Oc2ncc(Cl)cn2)CC1.
What is the InChIKey of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is SZSHJKHGEZERHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O3/c19-12-9-21-18(22-10-12)26-16-7-3-14(4-8-16)23-17(24)11-25-15-5-1-13(20)2-6-15/h1-2,5-6,9-10,14,16H,3-4,7-8,11H2,(H,23,24).
What are the key properties of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide?
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 379.82 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 90633747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).