3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide

C23H26F2N2O3 — CID 8533693

IUPAC3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide
SMILESCOCCOCCCNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C23H26F2N2O3/c1-29-13-14-30-12-2-11-26-22(28)10-8-19-20-15-18(25)7-9-21(20)27-23(19)16-3-5-17(24)6-4-16/h3-7,9,15,27H,2,8,10-14H2,1H3,(H,26,28)
InChIKeyMMJZWEBGJQAKHQ-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.22
Rot. Bonds11

About 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide

3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide (PubChem CID 8533693) has the molecular formula C23H26F2N2O3 and a molecular weight of 416.47 g/mol. Its IUPAC name is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide.

Molecular Properties

Compound Name3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide
PubChem CID8533693
Molecular FormulaC23H26F2N2O3
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide
SMILESCOCCOCCCNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C23H26F2N2O3/c1-29-13-14-30-12-2-11-26-22(28)10-8-19-20-15-18(25)7-9-21(20)27-23(19)16-3-5-17(24)6-4-16/h3-7,9,15,27H,2,8,10-14H2,1H3,(H,26,28)
InChIKeyMMJZWEBGJQAKHQ-UHFFFAOYSA-N
XLogP4.22
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 17392425
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide
CID 78854501
N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8865731
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 26011121
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 166586041
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 8531448
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 9084151
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(furan-3-ylmethyl)propanamide
CID 166184600
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 166585985
2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide
CID 166886005
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 25496772
3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide
CID 16613871

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide?
The IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide (CID 8533693) is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide.
What is the SMILES notation for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide?
The canonical SMILES for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide is COCCOCCCNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12.
What is the InChIKey of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide?
The InChIKey is MMJZWEBGJQAKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3/c1-29-13-14-30-12-2-11-26-22(28)10-8-19-20-15-18(25)7-9-21(20)27-23(19)16-3-5-17(24)6-4-16/h3-7,9,15,27H,2,8,10-14H2,1H3,(H,26,28).
What are the key properties of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide?
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide has a molecular weight of 416.47 g/mol, XLogP of 4.22, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide is sourced from PubChem (CID 8533693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).