2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone

C15H17FN2O3 — CID 946004

IUPAC2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone
SMILESCN(CC(=O)c1c[nH]c2ccc(F)cc12)CC1OCCO1
InChIInChI=1S/C15H17FN2O3/c1-18(9-15-20-4-5-21-15)8-14(19)12-7-17-13-3-2-10(16)6-11(12)13/h2-3,6-7,15,17H,4-5,8-9H2,1H3
InChIKeyWSOIUKITHDYBSL-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.79
Rot. Bonds5

About 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone

2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone (PubChem CID 946004) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone
PubChem CID946004
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone
SMILESCN(CC(=O)c1c[nH]c2ccc(F)cc12)CC1OCCO1
InChIInChI=1S/C15H17FN2O3/c1-18(9-15-20-4-5-21-15)8-14(19)12-7-17-13-3-2-10(16)6-11(12)13/h2-3,6-7,15,17H,4-5,8-9H2,1H3
InChIKeyWSOIUKITHDYBSL-UHFFFAOYSA-N
XLogP1.79
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63839972
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022
(5-fluoro-1H-indol-3-yl)-(5-methyloxolan-3-yl)methanone
CID 114824799
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 82493978
5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91755802
1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 82496275
(5-fluoro-1H-indol-3-yl)-(2-methylfuran-3-yl)methanone
CID 63850617
(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24824341
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone (CID 946004) is 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone is CN(CC(=O)c1c[nH]c2ccc(F)cc12)CC1OCCO1.
What is the InChIKey of 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone?
The InChIKey is WSOIUKITHDYBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-18(9-15-20-4-5-21-15)8-14(19)12-7-17-13-3-2-10(16)6-11(12)13/h2-3,6-7,15,17H,4-5,8-9H2,1H3.
What are the key properties of 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone?
2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone has a molecular weight of 292.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-fluoro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 946004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).