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

C25H19FN2O4 — CID 5002393

IUPAC[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C25H19FN2O4/c26-20-12-6-4-11-18(20)25(31)28-15-22(29)32-24(16-8-2-1-3-9-16)23(30)19-14-27-21-13-7-5-10-17(19)21/h1-14,24,27H,15H2,(H,28,31)
InChIKeyRGFIYQGALSIBIC-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.20
Rot. Bonds7

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

[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 5002393) has the molecular formula C25H19FN2O4 and a molecular weight of 430.44 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID5002393
Molecular FormulaC25H19FN2O4
Molecular Weight430.44 g/mol
Exact Mass430.13
IUPAC Name[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C25H19FN2O4/c26-20-12-6-4-11-18(20)25(31)28-15-22(29)32-24(16-8-2-1-3-9-16)23(30)19-14-27-21-13-7-5-10-17(19)21/h1-14,24,27H,15H2,(H,28,31)
InChIKeyRGFIYQGALSIBIC-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 16533898
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate
CID 3574939
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3282092
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877594
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 2479594
(2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate
CID 140889277
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269936
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270601
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 16540197
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate
CID 18205599
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 55376021

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 5002393) is [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1F)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is RGFIYQGALSIBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O4/c26-20-12-6-4-11-18(20)25(31)28-15-22(29)32-24(16-8-2-1-3-9-16)23(30)19-14-27-21-13-7-5-10-17(19)21/h1-14,24,27H,15H2,(H,28,31).
What are the key properties of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 430.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 5002393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).