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

C21H21F3N2O3 — CID 162389811

IUPAC3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide
SMILESFc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CCC2)cc1.NC(=O)C(O)CO
InChIInChI=1S/C18H14F3N.C3H7NO3/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;4-3(7)2(6)1-5/h4-10,22H,1-3H2;2,5-6H,1H2,(H2,4,7)
InChIKeyANPPQJASDYQFJZ-UHFFFAOYSA-N
MW406.40 g/mol
LogP3.34
Rot. Bonds4

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

3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide (PubChem CID 162389811) has the molecular formula C21H21F3N2O3 and a molecular weight of 406.40 g/mol. Its IUPAC name is 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide
PubChem CID162389811
Molecular FormulaC21H21F3N2O3
Molecular Weight406.40 g/mol
Exact Mass406.15
IUPAC Name3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide
SMILESFc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CCC2)cc1.NC(=O)C(O)CO
InChIInChI=1S/C18H14F3N.C3H7NO3/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;4-3(7)2(6)1-5/h4-10,22H,1-3H2;2,5-6H,1H2,(H2,4,7)
InChIKeyANPPQJASDYQFJZ-UHFFFAOYSA-N
XLogP3.34
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide?
The IUPAC name of 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide (CID 162389811) is 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide.
What is the SMILES notation for 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide?
The canonical SMILES for 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide is Fc1ccc(-c2[nH]c3c(F)cc(F)cc3c2C2CCC2)cc1.NC(=O)C(O)CO.
What is the InChIKey of 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide?
The InChIKey is ANPPQJASDYQFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N.C3H7NO3/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;4-3(7)2(6)1-5/h4-10,22H,1-3H2;2,5-6H,1H2,(H2,4,7).
What are the key properties of 3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide?
3-cyclobutyl-5,7-difluoro-2-(4-fluorophenyl)-1H-indole;2,3-dihydroxypropanamide has a molecular weight of 406.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 4 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;2,3-dihydroxypropanamide is sourced from PubChem (CID 162389811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).