2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone

C17H17Cl2N3O3 — CID 51121695

IUPAC2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone
SMILESO=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C17H17Cl2N3O3/c18-12-9-13(19)17(21-10-12)25-15-4-2-1-3-14(15)20-11-16(23)22-5-7-24-8-6-22/h1-4,9-10,20H,5-8,11H2
InChIKeySGVXIFSNDKSUBY-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.45
Rot. Bonds5

About 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone

2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone (PubChem CID 51121695) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone
PubChem CID51121695
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone
SMILESO=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C17H17Cl2N3O3/c18-12-9-13(19)17(21-10-12)25-15-4-2-1-3-14(15)20-11-16(23)22-5-7-24-8-6-22/h1-4,9-10,20H,5-8,11H2
InChIKeySGVXIFSNDKSUBY-UHFFFAOYSA-N
XLogP3.45
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone (CID 51121695) is 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone is O=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone?
The InChIKey is SGVXIFSNDKSUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c18-12-9-13(19)17(21-10-12)25-15-4-2-1-3-14(15)20-11-16(23)22-5-7-24-8-6-22/h1-4,9-10,20H,5-8,11H2.
What are the key properties of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone?
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone has a molecular weight of 382.25 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 51121695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).