[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C26H21FN2O4 — CID 4857641

IUPAC[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCn1c(-c2ccccc2)c(C(=O)COC(=O)CNC(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C26H21FN2O4/c1-29-21-14-8-6-12-19(21)24(25(29)17-9-3-2-4-10-17)22(30)16-33-23(31)15-28-26(32)18-11-5-7-13-20(18)27/h2-14H,15-16H2,1H3,(H,28,32)
InChIKeyUIFSWVAEMJFXNM-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.14
Rot. Bonds7

About [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 4857641) has the molecular formula C26H21FN2O4 and a molecular weight of 444.46 g/mol. Its IUPAC name is [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID4857641
Molecular FormulaC26H21FN2O4
Molecular Weight444.46 g/mol
Exact Mass444.15
IUPAC Name[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCn1c(-c2ccccc2)c(C(=O)COC(=O)CNC(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C26H21FN2O4/c1-29-21-14-8-6-12-19(21)24(25(29)17-9-3-2-4-10-17)22(30)16-33-23(31)15-28-26(32)18-11-5-7-13-20(18)27/h2-14H,15-16H2,1H3,(H,28,32)
InChIKeyUIFSWVAEMJFXNM-UHFFFAOYSA-N
XLogP4.14
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2480011
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate
CID 7175406
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4842179
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
CID 24615642
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269914
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796030
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2401989
(2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone
CID 154119569

Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 4857641) is [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is Cn1c(-c2ccccc2)c(C(=O)COC(=O)CNC(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is UIFSWVAEMJFXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O4/c1-29-21-14-8-6-12-19(21)24(25(29)17-9-3-2-4-10-17)22(30)16-33-23(31)15-28-26(32)18-11-5-7-13-20(18)27/h2-14H,15-16H2,1H3,(H,28,32).
What are the key properties of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 444.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 4857641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).