3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide

C24H29F3N2O2 — CID 162390138

IUPAC3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide
SMILESCC.COCCC(N)=O.Fc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CCC2)cc1
InChIInChI=1S/C18H14F3N.C4H9NO2.C2H6/c19-12-6-4-11(5-7-12)17-16(10-2-1-3-10)14-8-13(20)9-15(21)18(14)22-17;1-7-3-2-4(5)6;1-2/h4-10,22H,1-3H2;2-3H2,1H3,(H2,5,6);1-2H3
InChIKeyWGDCUTWYAVIYSE-UHFFFAOYSA-N
MW434.50 g/mol
LogP6.05
Rot. Bonds5

About 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide

3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide (PubChem CID 162390138) has the molecular formula C24H29F3N2O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide.

Molecular Properties

Compound Name3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide
PubChem CID162390138
Molecular FormulaC24H29F3N2O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide
SMILESCC.COCCC(N)=O.Fc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CCC2)cc1
InChIInChI=1S/C18H14F3N.C4H9NO2.C2H6/c19-12-6-4-11(5-7-12)17-16(10-2-1-3-10)14-8-13(20)9-15(21)18(14)22-17;1-7-3-2-4(5)6;1-2/h4-10,22H,1-3H2;2-3H2,1H3,(H2,5,6);1-2H3
InChIKeyWGDCUTWYAVIYSE-UHFFFAOYSA-N
XLogP6.05
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-hydroxy-2-methylpropanamide
CID 162389469
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide
CID 162389811
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;ethylurea;formamide
CID 162390084
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide
CID 162389667
butane-1,3-diol;3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;formaldehyde;methanamine
CID 156815753
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(methylaminosulfanyl)methanamine
CID 162389804
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide
CID 156815991
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-(1,3-dihydroxypropan-2-yl)formamide
CID 156816370
[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] carbamate
CID 162389976
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(1-hydroxybutan-2-yl)formamide
CID 156815771
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;1-(3-hydroxycyclobutyl)-3-methylurea
CID 156815853
[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-methylcyclobutyl]methanamine;ethane
CID 162390156

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide?
The IUPAC name of 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide (CID 162390138) is 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide.
What is the SMILES notation for 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide?
The canonical SMILES for 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide is CC.COCCC(N)=O.Fc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CCC2)cc1.
What is the InChIKey of 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide?
The InChIKey is WGDCUTWYAVIYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N.C4H9NO2.C2H6/c19-12-6-4-11(5-7-12)17-16(10-2-1-3-10)14-8-13(20)9-15(21)18(14)22-17;1-7-3-2-4(5)6;1-2/h4-10,22H,1-3H2;2-3H2,1H3,(H2,5,6);1-2H3.
What are the key properties of 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide?
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide has a molecular weight of 434.50 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide is sourced from PubChem (CID 162390138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).