[1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate

C16H20F2N2O4 — CID 3781511

IUPAC[1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)NCCN1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C16H20F2N2O4/c1-11(21)24-15(14-12(17)3-2-4-13(14)18)16(22)19-5-6-20-7-9-23-10-8-20/h2-4,15H,5-10H2,1H3,(H,19,22)
InChIKeyQELVYWPTLHNKGO-UHFFFAOYSA-N
MW342.34 g/mol
LogP1.02
Rot. Bonds6

About [1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate

[1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate (PubChem CID 3781511) has the molecular formula C16H20F2N2O4 and a molecular weight of 342.34 g/mol. Its IUPAC name is [1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate
PubChem CID3781511
Molecular FormulaC16H20F2N2O4
Molecular Weight342.34 g/mol
Exact Mass342.14
IUPAC Name[1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)NCCN1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C16H20F2N2O4/c1-11(21)24-15(14-12(17)3-2-4-13(14)18)16(22)19-5-6-20-7-9-23-10-8-20/h2-4,15H,5-10H2,1H3,(H,19,22)
InChIKeyQELVYWPTLHNKGO-UHFFFAOYSA-N
XLogP1.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9980795
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CID 10575012
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CID 10788455
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CID 651616
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CID 2355406
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CID 10765459
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CID 2365769
CID 2365769

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate?
The IUPAC name of [1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate (CID 3781511) is [1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate.
What is the SMILES notation for [1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate?
The canonical SMILES for [1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate is CC(=O)OC(C(=O)NCCN1CCOCC1)c1c(F)cccc1F.
What is the InChIKey of [1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate?
The InChIKey is QELVYWPTLHNKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O4/c1-11(21)24-15(14-12(17)3-2-4-13(14)18)16(22)19-5-6-20-7-9-23-10-8-20/h2-4,15H,5-10H2,1H3,(H,19,22).
What are the key properties of [1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate?
[1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate has a molecular weight of 342.34 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluorophenyl)-2-(2-morpholin-4-ylethylamino)-2-oxoethyl] acetate is sourced from PubChem (CID 3781511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).