[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate

C21H20FNO4 — CID 9270035

IUPAC[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H20FNO4/c22-18-8-4-3-7-17(18)21(26)23-12-20(25)27-13-19(24)16-10-9-14-5-1-2-6-15(14)11-16/h3-4,7-11H,1-2,5-6,12-13H2,(H,23,26)
InChIKeyQDKFWORXOVBAPN-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.86
Rot. Bonds6

About [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 9270035) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID9270035
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H20FNO4/c22-18-8-4-3-7-17(18)21(26)23-12-20(25)27-13-19(24)16-10-9-14-5-1-2-6-15(14)11-16/h3-4,7-11H,1-2,5-6,12-13H2,(H,23,26)
InChIKeyQDKFWORXOVBAPN-UHFFFAOYSA-N
XLogP2.86
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662535
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269914
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269969
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 31633447
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066291
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843447
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961571
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2,4-difluorobenzoate
CID 7951467

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 9270035) is [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1F)OCC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is QDKFWORXOVBAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c22-18-8-4-3-7-17(18)21(26)23-12-20(25)27-13-19(24)16-10-9-14-5-1-2-6-15(14)11-16/h3-4,7-11H,1-2,5-6,12-13H2,(H,23,26).
What are the key properties of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 369.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 9270035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).