[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate

C25H23F3N2O4 — CID 2547426

IUPAC[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESO=C(COC(=O)Cc1cccc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C25H23F3N2O4/c26-25(27,28)19-8-9-22(30-10-12-33-13-11-30)21(15-19)29-23(31)16-34-24(32)14-18-6-3-5-17-4-1-2-7-20(17)18/h1-9,15H,10-14,16H2,(H,29,31)
InChIKeyXJQTXJXFVKKIPA-UHFFFAOYSA-N
MW472.46 g/mol
LogP4.42
Rot. Bonds6

About [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate

[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 2547426) has the molecular formula C25H23F3N2O4 and a molecular weight of 472.46 g/mol. Its IUPAC name is [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate
PubChem CID2547426
Molecular FormulaC25H23F3N2O4
Molecular Weight472.46 g/mol
Exact Mass472.16
IUPAC Name[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESO=C(COC(=O)Cc1cccc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C25H23F3N2O4/c26-25(27,28)19-8-9-22(30-10-12-33-13-11-30)21(15-19)29-23(31)16-34-24(32)14-18-6-3-5-17-4-1-2-7-20(17)18/h1-9,15H,10-14,16H2,(H,29,31)
InChIKeyXJQTXJXFVKKIPA-UHFFFAOYSA-N
XLogP4.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 2547426) is [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate is O=C(COC(=O)Cc1cccc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
The InChIKey is XJQTXJXFVKKIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O4/c26-25(27,28)19-8-9-22(30-10-12-33-13-11-30)21(15-19)29-23(31)16-34-24(32)14-18-6-3-5-17-4-1-2-7-20(17)18/h1-9,15H,10-14,16H2,(H,29,31).
What are the key properties of [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 472.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 2547426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).