3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide

C20H22FN3O — CID 109021183

IUPAC3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCNCc1ccc(F)cc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H22FN3O/c21-17-7-5-15(6-8-17)13-22-11-10-20(25)23-12-9-16-14-24-19-4-2-1-3-18(16)19/h1-8,14,22,24H,9-13H2,(H,23,25)
InChIKeyTXKJECAESQJGAN-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.15
Rot. Bonds8

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

3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 109021183) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID109021183
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCNCc1ccc(F)cc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H22FN3O/c21-17-7-5-15(6-8-17)13-22-11-10-20(25)23-12-9-16-14-24-19-4-2-1-3-18(16)19/h1-8,14,22,24H,9-13H2,(H,23,25)
InChIKeyTXKJECAESQJGAN-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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

N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 18107802
3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 30284044
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid
CID 126477748
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 22221309
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 49409514

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 109021183) is 3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide is O=C(CCNCc1ccc(F)cc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is TXKJECAESQJGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-17-7-5-15(6-8-17)13-22-11-10-20(25)23-12-9-16-14-24-19-4-2-1-3-18(16)19/h1-8,14,22,24H,9-13H2,(H,23,25).
What are the key properties of 3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 339.41 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 109021183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).