N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide

C18H25FN2O2 — CID 97401206

IUPACN-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)C1(CCOCC1)CN2CCF
InChIInChI=1S/C18H25FN2O2/c1-13(2)17(22)20-14-3-4-16-15(11-14)18(5-9-23-10-6-18)12-21(16)8-7-19/h3-4,11,13H,5-10,12H2,1-2H3,(H,20,22)
InChIKeyVIDIMOKTXYUCSC-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.12
Rot. Bonds4

About N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide

N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide (PubChem CID 97401206) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide
PubChem CID97401206
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)C1(CCOCC1)CN2CCF
InChIInChI=1S/C18H25FN2O2/c1-13(2)17(22)20-14-3-4-16-15(11-14)18(5-9-23-10-6-18)12-21(16)8-7-19/h3-4,11,13H,5-10,12H2,1-2H3,(H,20,22)
InChIKeyVIDIMOKTXYUCSC-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide (CID 97401206) is N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc2c(c1)C1(CCOCC1)CN2CCF.
What is the InChIKey of N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide?
The InChIKey is VIDIMOKTXYUCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13(2)17(22)20-14-3-4-16-15(11-14)18(5-9-23-10-6-18)12-21(16)8-7-19/h3-4,11,13H,5-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide?
N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide has a molecular weight of 320.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide is sourced from PubChem (CID 97401206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).