[5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone

C18H18ClFN2O3 — CID 1260476

IUPAC[5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1nc(Oc2ccc(F)cc2)c(C(=O)N2CCOCC2)c(C)c1Cl
InChIInChI=1S/C18H18ClFN2O3/c1-11-15(18(23)22-7-9-24-10-8-22)17(21-12(2)16(11)19)25-14-5-3-13(20)4-6-14/h3-6H,7-10H2,1-2H3
InChIKeyGGFSGDAQVPJXDO-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.76
Rot. Bonds3

About [5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 1260476) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is [5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID1260476
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC Name[5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1nc(Oc2ccc(F)cc2)c(C(=O)N2CCOCC2)c(C)c1Cl
InChIInChI=1S/C18H18ClFN2O3/c1-11-15(18(23)22-7-9-24-10-8-22)17(21-12(2)16(11)19)25-14-5-3-13(20)4-6-14/h3-6H,7-10H2,1-2H3
InChIKeyGGFSGDAQVPJXDO-UHFFFAOYSA-N
XLogP3.76
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone (CID 1260476) is [5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone is Cc1nc(Oc2ccc(F)cc2)c(C(=O)N2CCOCC2)c(C)c1Cl.
What is the InChIKey of [5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is GGFSGDAQVPJXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c1-11-15(18(23)22-7-9-24-10-8-22)17(21-12(2)16(11)19)25-14-5-3-13(20)4-6-14/h3-6H,7-10H2,1-2H3.
What are the key properties of [5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 364.80 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1260476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).