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

C24H26F3N3O2 — CID 162389667

IUPAC3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide
SMILESFc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CCC2)cc1.NC(=O)CN1CCOCC1
InChIInChI=1S/C18H14F3N.C6H12N2O2/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;7-6(9)5-8-1-3-10-4-2-8/h4-10,22H,1-3H2;1-5H2,(H2,7,9)
InChIKeyJPSBFKUWINOWOV-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.32
Rot. Bonds4

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

3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide (PubChem CID 162389667) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide
PubChem CID162389667
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC Name3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide
SMILESFc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CCC2)cc1.NC(=O)CN1CCOCC1
InChIInChI=1S/C18H14F3N.C6H12N2O2/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;7-6(9)5-8-1-3-10-4-2-8/h4-10,22H,1-3H2;1-5H2,(H2,7,9)
InChIKeyJPSBFKUWINOWOV-UHFFFAOYSA-N
XLogP4.32
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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;2-hydroxy-2-methylpropanamide
CID 162389469
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;3-methoxypropanamide
CID 162390138
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;ethylurea;formamide
CID 162390084
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;N-(1,3-dihydroxypropan-2-yl)formamide
CID 156816370
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;ethane;N-(methylaminosulfanyl)methanamine
CID 162389804
[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] carbamate
CID 162389976
[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 166008569
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]carbamoylamino]acetamide
CID 162389497
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;1-(3-hydroxycyclobutyl)-3-methylurea
CID 156815853

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide?
The IUPAC name of 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide (CID 162389667) is 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide.
What is the SMILES notation for 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide?
The canonical SMILES for 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide is Fc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CCC2)cc1.NC(=O)CN1CCOCC1.
What is the InChIKey of 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide?
The InChIKey is JPSBFKUWINOWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N.C6H12N2O2/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;7-6(9)5-8-1-3-10-4-2-8/h4-10,22H,1-3H2;1-5H2,(H2,7,9).
What are the key properties of 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide?
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide has a molecular weight of 445.49 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2-morpholin-4-ylacetamide is sourced from PubChem (CID 162389667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).