N-((1-(5-Fluoropentyl)-1H-indol-3-yl)carbonyl)valine methyl ester

C20H27FN2O3CAS 1616253-26-9362.45 g/mol

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OONHONF
Alkyl halideEster

Properties

Molecular formula
C20H27FN2O3
Molar mass
362.45 g/mol
Exact mass
362.2006 Da
logP
4.28Crippen estimate
Polar surface area
63.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1616253-26-9
SMILES
COC(=O)C(N=C(O)c1cn(CCCCCF)c2ccccc12)C(C)C
InChIKey
JFXASAFVUQVGEW-UHFFFAOYSA-N
InChI
InChI=1S/C20H27FN2O3/c1-14(2)18(20(25)26-3)22-19(24)16-13-23(12-8-4-7-11-21)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3,(H,22,24)

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Names and synonyms

2 names
  • N-[[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl]valine methyl ester
  • Valine, N-[[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl]-, methyl ester

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Similar compounds

L-Valine, N-[[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl]-3-methyl-, methyl ester1971007-88-174 % similar (2R,3S)-N-Benzoyl-3-phenylisoserine methyl ester32981-85-434 % similar 3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione133052-90-133 % similar 1-(Phenylmethyl)-1H-indole-3-carboxylic acid27018-76-432 % similar 1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid338747-41-431 % similar N-Benzyloxycarbonyl-L-valine N-hydroxysuccinimide ester3496-11-531 % similar 1-Methyl-1H-indole-3-carboxylic acid32387-21-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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