(1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C16H19FN2O2 — CID 128988511

IUPAC(1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2C[C@@H](F)C[C@H]2CO)c2ccccc21
InChIInChI=1S/C16H19FN2O2/c1-2-18-9-14(13-5-3-4-6-15(13)18)16(21)19-8-11(17)7-12(19)10-20/h3-6,9,11-12,20H,2,7-8,10H2,1H3/t11-,12-/m0/s1
InChIKeyCFRSHCWEDBUHCW-RYUDHWBXSA-N
MW290.34 g/mol
LogP2.21
Rot. Bonds3

About (1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 128988511) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is (1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID128988511
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name(1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2C[C@@H](F)C[C@H]2CO)c2ccccc21
InChIInChI=1S/C16H19FN2O2/c1-2-18-9-14(13-5-3-4-6-15(13)18)16(21)19-8-11(17)7-12(19)10-20/h3-6,9,11-12,20H,2,7-8,10H2,1H3/t11-,12-/m0/s1
InChIKeyCFRSHCWEDBUHCW-RYUDHWBXSA-N
XLogP2.21
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 128988214
N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 47029988
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 128988349
(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 110108182
(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 96997373
4-[[(2S,4S)-1-[2-[3-chloro-4-[(1-ethylindole-3-carbonyl)amino]phenyl]acetyl]-4-fluoropyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
CID 44605425
2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
CID 14069757
(Z)-4-(1-ethylindol-3-yl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
CID 139168536
methyl 4-[[(2S,4S)-1-[2-[3-chloro-4-[(1-ethylindole-3-carbonyl)amino]phenyl]acetyl]-4-fluoropyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 58778933
(1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606910
1-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-1-yloxyethanone
CID 128988413
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 128988217

Frequently Asked Questions

What is the IUPAC name of (1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 128988511) is (1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is CCn1cc(C(=O)N2C[C@@H](F)C[C@H]2CO)c2ccccc21.
What is the InChIKey of (1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is CFRSHCWEDBUHCW-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-18-9-14(13-5-3-4-6-15(13)18)16(21)19-8-11(17)7-12(19)10-20/h3-6,9,11-12,20H,2,7-8,10H2,1H3/t11-,12-/m0/s1.
What are the key properties of (1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 290.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylindol-3-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128988511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).