5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one

C18H17FN2O — CID 118186301

IUPAC5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESNc1cc(Cc2ccc(F)cc2)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C18H17FN2O/c19-13-4-2-11(3-5-13)8-12-9-14(20)10-15-16(12)21-17(22)18(15)6-1-7-18/h2-5,9-10H,1,6-8,20H2,(H,21,22)
InChIKeyIUYCEJGXKUYIIH-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.37
Rot. Bonds2

About 5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one

5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one (PubChem CID 118186301) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one
PubChem CID118186301
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESNc1cc(Cc2ccc(F)cc2)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C18H17FN2O/c19-13-4-2-11(3-5-13)8-12-9-14(20)10-15-16(12)21-17(22)18(15)6-1-7-18/h2-5,9-10H,1,6-8,20H2,(H,21,22)
InChIKeyIUYCEJGXKUYIIH-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one?
The IUPAC name of 5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one (CID 118186301) is 5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one?
The canonical SMILES for 5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one is Nc1cc(Cc2ccc(F)cc2)c2c(c1)C1(CCC1)C(=O)N2.
What is the InChIKey of 5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one?
The InChIKey is IUYCEJGXKUYIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c19-13-4-2-11(3-5-13)8-12-9-14(20)10-15-16(12)21-17(22)18(15)6-1-7-18/h2-5,9-10H,1,6-8,20H2,(H,21,22).
What are the key properties of 5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one?
5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one has a molecular weight of 296.35 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-[(4-fluorophenyl)methyl]spiro[1H-indole-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 118186301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).