2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone

C18H17FN2O — CID 110655218

IUPAC2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CNCCc1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H17FN2O/c19-14-7-5-13(6-8-14)9-10-20-12-18(22)16-11-21-17-4-2-1-3-15(16)17/h1-8,11,20-21H,9-10,12H2
InChIKeyIHLKFPNLEWDTLJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.32
Rot. Bonds6

About 2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone

2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone (PubChem CID 110655218) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone
PubChem CID110655218
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CNCCc1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H17FN2O/c19-14-7-5-13(6-8-14)9-10-20-12-18(22)16-11-21-17-4-2-1-3-15(16)17/h1-8,11,20-21H,9-10,12H2
InChIKeyIHLKFPNLEWDTLJ-UHFFFAOYSA-N
XLogP3.32
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone
CID 110655257
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid
CID 126477748
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492818
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 82493978
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethanone
CID 139422939
2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone
CID 110655332

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone (CID 110655218) is 2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone is O=C(CNCCc1ccc(F)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone?
The InChIKey is IHLKFPNLEWDTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c19-14-7-5-13(6-8-14)9-10-20-12-18(22)16-11-21-17-4-2-1-3-15(16)17/h1-8,11,20-21H,9-10,12H2.
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone?
2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone has a molecular weight of 296.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 110655218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).