[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate

C25H19FN2O4 — CID 29461685

IUPAC[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(F)c1)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C25H19FN2O4/c26-18-10-6-9-17(13-18)25(31)27-14-22(30)32-15-21(29)23-19-11-4-5-12-20(19)28-24(23)16-7-2-1-3-8-16/h1-13,28H,14-15H2,(H,27,31)
InChIKeyGHWWNKZLYOIKIZ-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.13
Rot. Bonds7

About [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 29461685) has the molecular formula C25H19FN2O4 and a molecular weight of 430.44 g/mol. Its IUPAC name is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID29461685
Molecular FormulaC25H19FN2O4
Molecular Weight430.44 g/mol
Exact Mass430.13
IUPAC Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(F)c1)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C25H19FN2O4/c26-18-10-6-9-17(13-18)25(31)27-14-22(30)32-15-21(29)23-19-11-4-5-12-20(19)28-24(23)16-7-2-1-3-8-16/h1-13,28H,14-15H2,(H,27,31)
InChIKeyGHWWNKZLYOIKIZ-UHFFFAOYSA-N
XLogP4.13
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 42984073
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796030
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 29461980
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 135916202
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662487
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662774
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662535
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818951
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 35651185
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate
CID 7775436
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548358
(2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate
CID 2548453

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate (CID 29461685) is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1cccc(F)c1)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is GHWWNKZLYOIKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O4/c26-18-10-6-9-17(13-18)25(31)27-14-22(30)32-15-21(29)23-19-11-4-5-12-20(19)28-24(23)16-7-2-1-3-8-16/h1-13,28H,14-15H2,(H,27,31).
What are the key properties of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate?
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 430.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 29461685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).