methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate

C17H17NO2 — CID 6473082

IUPACmethyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C17H17NO2/c1-20-17(19)15-8-6-13(7-9-15)12-18-11-10-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3
InChIKeyGJENZVHUACUNTN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.04
Rot. Bonds3

About methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate

methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate (PubChem CID 6473082) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
PubChem CID6473082
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C17H17NO2/c1-20-17(19)15-8-6-13(7-9-15)12-18-11-10-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3
InChIKeyGJENZVHUACUNTN-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
CID 92677668
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate
CID 46771711
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 38000598
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 43910261
methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate
CID 20955301
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46762925
(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone
CID 99955888
2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone
CID 147623744
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide
CID 92682378

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate?
The IUPAC name of methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate (CID 6473082) is methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate.
What is the SMILES notation for methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate?
The canonical SMILES for methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate is COC(=O)c1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate?
The InChIKey is GJENZVHUACUNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-17(19)15-8-6-13(7-9-15)12-18-11-10-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3.
What are the key properties of methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate?
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate has a molecular weight of 267.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate is sourced from PubChem (CID 6473082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).