methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate

C18H15FN2O3 — CID 113209461

IUPACmethyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C18H15FN2O3/c1-24-18(23)11-2-5-14(6-3-11)21-17(22)8-12-10-20-16-9-13(19)4-7-15(12)16/h2-7,9-10,20H,8H2,1H3,(H,21,22)
InChIKeyVQMSVUMEMFCOCF-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.27
Rot. Bonds4

About methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate

methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate (PubChem CID 113209461) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
PubChem CID113209461
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Namemethyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C18H15FN2O3/c1-24-18(23)11-2-5-14(6-3-11)21-17(22)8-12-10-20-16-9-13(19)4-7-15(12)16/h2-7,9-10,20H,8H2,1H3,(H,21,22)
InChIKeyVQMSVUMEMFCOCF-UHFFFAOYSA-N
XLogP3.27
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-chloro-4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
CID 172548040
N-(3-acetylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861017
N-(3-acetamidophenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861296
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209477
N-(4-ethoxy-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 86877960
methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
methyl 4-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999943
N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209328
propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
CID 2449729
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 119187887
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
methyl 4-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 44999647

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate (CID 113209461) is methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate?
The InChIKey is VQMSVUMEMFCOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-24-18(23)11-2-5-14(6-3-11)21-17(22)8-12-10-20-16-9-13(19)4-7-15(12)16/h2-7,9-10,20H,8H2,1H3,(H,21,22).
What are the key properties of methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate?
methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate has a molecular weight of 326.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 113209461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).