2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone

C19H18ClNO4 — CID 2527180

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18ClNO4/c20-16-5-1-14(2-6-16)19(23)15-3-7-17(8-4-15)25-13-18(22)21-9-11-24-12-10-21/h1-8H,9-13H2
InChIKeyIWAOBMPPLHJLIZ-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.81
Rot. Bonds5

About 2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone

2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone (PubChem CID 2527180) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone
PubChem CID2527180
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18ClNO4/c20-16-5-1-14(2-6-16)19(23)15-3-7-17(8-4-15)25-13-18(22)21-9-11-24-12-10-21/h1-8H,9-13H2
InChIKeyIWAOBMPPLHJLIZ-UHFFFAOYSA-N
XLogP2.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone (CID 2527180) is 2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone is O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is IWAOBMPPLHJLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4/c20-16-5-1-14(2-6-16)19(23)15-3-7-17(8-4-15)25-13-18(22)21-9-11-24-12-10-21/h1-8H,9-13H2.
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone?
2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 359.81 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 2527180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).