3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one

C18H19FN2O — CID 101057345

IUPAC3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(F)CCNCCc1ccccc1
InChIInChI=1S/C18H19FN2O/c19-18(15-8-4-5-9-16(15)21-17(18)22)11-13-20-12-10-14-6-2-1-3-7-14/h1-9,20H,10-13H2,(H,21,22)
InChIKeyMRDVMPURIOECHC-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.03
Rot. Bonds6

About 3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one

3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one (PubChem CID 101057345) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one
PubChem CID101057345
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(F)CCNCCc1ccccc1
InChIInChI=1S/C18H19FN2O/c19-18(15-8-4-5-9-16(15)21-17(18)22)11-13-20-12-10-14-6-2-1-3-7-14/h1-9,20H,10-13H2,(H,21,22)
InChIKeyMRDVMPURIOECHC-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 11012759
3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one
CID 71619697
4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate
CID 101031126
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
(3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione
CID 825188
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one
CID 86047957
5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione
CID 144553239
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one
CID 155239737

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one?
The IUPAC name of 3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one (CID 101057345) is 3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one.
What is the SMILES notation for 3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one?
The canonical SMILES for 3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one is O=C1Nc2ccccc2C1(F)CCNCCc1ccccc1.
What is the InChIKey of 3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one?
The InChIKey is MRDVMPURIOECHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-18(15-8-4-5-9-16(15)21-17(18)22)11-13-20-12-10-14-6-2-1-3-7-14/h1-9,20H,10-13H2,(H,21,22).
What are the key properties of 3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one?
3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one has a molecular weight of 298.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one is sourced from PubChem (CID 101057345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).