[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

C20H18FNO4 — CID 8662535

IUPAC[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(F)c1)OCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H18FNO4/c21-17-6-2-5-16(10-17)20(25)22-11-19(24)26-12-18(23)15-8-7-13-3-1-4-14(13)9-15/h2,5-10H,1,3-4,11-12H2,(H,22,25)
InChIKeyHPIOJZKDEOKPCU-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.47
Rot. Bonds6

About [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 8662535) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID8662535
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(F)c1)OCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H18FNO4/c21-17-6-2-5-16(10-17)20(25)22-11-19(24)26-12-18(23)15-8-7-13-3-1-4-14(13)9-15/h2,5-10H,1,3-4,11-12H2,(H,22,25)
InChIKeyHPIOJZKDEOKPCU-UHFFFAOYSA-N
XLogP2.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270035
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843447
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961571
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(4-methoxy-3-nitrobenzoyl)amino]acetate
CID 9363522
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662487
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluorophenoxy)ethanone
CID 43413398
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 35651185
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066291
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone
CID 82123612
[2-(3-fluorophenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 8677246
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548358

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (CID 8662535) is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1cccc(F)c1)OCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is HPIOJZKDEOKPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c21-17-6-2-5-16(10-17)20(25)22-11-19(24)26-12-18(23)15-8-7-13-3-1-4-14(13)9-15/h2,5-10H,1,3-4,11-12H2,(H,22,25).
What are the key properties of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 355.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 8662535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).