N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide

C20H22FN3O — CID 109000531

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
SMILESO=C(CNCCc1c[nH]c2ccccc12)NCCc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O/c21-17-7-5-15(6-8-17)9-12-23-20(25)14-22-11-10-16-13-24-19-4-2-1-3-18(16)19/h1-8,13,22,24H,9-12,14H2,(H,23,25)
InChIKeyUWINBGPGDGXAFN-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.80
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide (PubChem CID 109000531) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
PubChem CID109000531
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
SMILESO=C(CNCCc1c[nH]c2ccccc12)NCCc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O/c21-17-7-5-15(6-8-17)9-12-23-20(25)14-22-11-10-16-13-24-19-4-2-1-3-18(16)19/h1-8,13,22,24H,9-12,14H2,(H,23,25)
InChIKeyUWINBGPGDGXAFN-UHFFFAOYSA-N
XLogP2.80
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
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-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109021183
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000852
2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid
CID 126477748
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone
CID 110655218
2-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002509
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 108995075
2-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002445

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide (CID 109000531) is N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide is O=C(CNCCc1c[nH]c2ccccc12)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The InChIKey is UWINBGPGDGXAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-17-7-5-15(6-8-17)9-12-23-20(25)14-22-11-10-16-13-24-19-4-2-1-3-18(16)19/h1-8,13,22,24H,9-12,14H2,(H,23,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide has a molecular weight of 339.41 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 109000531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).