methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate

C20H19FN2O3 — CID 113209989

IUPACmethyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)(C)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H19FN2O3/c1-20(2,15-11-22-16-9-8-12(21)10-14(15)16)19(25)23-17-7-5-4-6-13(17)18(24)26-3/h4-11,22H,1-3H3,(H,23,25)
InChIKeyWUPUCIVNGMUJLJ-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.01
Rot. Bonds4

About methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate

methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate (PubChem CID 113209989) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
PubChem CID113209989
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Namemethyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)(C)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H19FN2O3/c1-20(2,15-11-22-16-9-8-12(21)10-14(15)16)19(25)23-17-7-5-4-6-13(17)18(24)26-3/h4-11,22H,1-3H3,(H,23,25)
InChIKeyWUPUCIVNGMUJLJ-UHFFFAOYSA-N
XLogP4.01
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210009
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210255
N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209959
2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide
CID 113210383
N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209987
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
CID 113210367
2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 113210111
N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208652
2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 113209917
2-(5-fluoro-1H-indol-3-yl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 113209901
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate (CID 113209989) is methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C(C)(C)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate?
The InChIKey is WUPUCIVNGMUJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-20(2,15-11-22-16-9-8-12(21)10-14(15)16)19(25)23-17-7-5-4-6-13(17)18(24)26-3/h4-11,22H,1-3H3,(H,23,25).
What are the key properties of methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate?
methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate has a molecular weight of 354.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate is sourced from PubChem (CID 113209989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).