methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate

C19H17FN2O3 — CID 37411683

IUPACmethyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)cc1
InChIInChI=1S/C19H17FN2O3/c1-22(11-12-3-5-13(6-4-12)19(24)25-2)18(23)17-10-14-9-15(20)7-8-16(14)21-17/h3-10,21H,11H2,1-2H3
InChIKeyZBGPTWBJIXTZRJ-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.37
Rot. Bonds4

About methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate

methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate (PubChem CID 37411683) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate
PubChem CID37411683
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Namemethyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)cc1
InChIInChI=1S/C19H17FN2O3/c1-22(11-12-3-5-13(6-4-12)19(24)25-2)18(23)17-10-14-9-15(20)7-8-16(14)21-17/h3-10,21H,11H2,1-2H3
InChIKeyZBGPTWBJIXTZRJ-UHFFFAOYSA-N
XLogP3.37
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate (CID 37411683) is methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate is COC(=O)c1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)cc1.
What is the InChIKey of methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate?
The InChIKey is ZBGPTWBJIXTZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-22(11-12-3-5-13(6-4-12)19(24)25-2)18(23)17-10-14-9-15(20)7-8-16(14)21-17/h3-10,21H,11H2,1-2H3.
What are the key properties of methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate?
methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate has a molecular weight of 340.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate is sourced from PubChem (CID 37411683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).