1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide

C20H25FN2O3 — CID 131691258

IUPAC1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide
SMILESCC(C)N1C(=O)C2(CCOCC2)c2cc(NC(=O)C3(F)CCC3)ccc21
InChIInChI=1S/C20H25FN2O3/c1-13(2)23-16-5-4-14(22-17(24)20(21)6-3-7-20)12-15(16)19(18(23)25)8-10-26-11-9-19/h4-5,12-13H,3,6-11H2,1-2H3,(H,22,24)
InChIKeyLPXFBUOWKJNNER-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.32
Rot. Bonds3

About 1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide

1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide (PubChem CID 131691258) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide
PubChem CID131691258
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide
SMILESCC(C)N1C(=O)C2(CCOCC2)c2cc(NC(=O)C3(F)CCC3)ccc21
InChIInChI=1S/C20H25FN2O3/c1-13(2)23-16-5-4-14(22-17(24)20(21)6-3-7-20)12-15(16)19(18(23)25)8-10-26-11-9-19/h4-5,12-13H,3,6-11H2,1-2H3,(H,22,24)
InChIKeyLPXFBUOWKJNNER-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide with MolForge

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Related Compounds

(1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid
CID 146524669
3,3-dimethyl-5-[2-(7-oxocyclohepten-1-yl)hydrazinyl]-1-propan-2-ylindol-2-one
CID 91511993
N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide
CID 97401206
formic acid;1-methyl-5-[(1-methylpyrazol-4-yl)methylamino]spiro[indole-3,4'-oxane]-2-one
CID 155869129
1'-methyl-5'-(methylamino)spiro[cyclobutane-1,3'-indole]-2'-one
CID 83853133
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfanylamino)-N-(1-methyl-2-oxospiro[indole-3,4'-oxane]-5-yl)benzamide
CID 177197295
1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide
CID 146524452
N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide
CID 71878315
4-[[4-(2,2-difluorocyclopropyl)phenyl]carbamoyl]oxane-4-carboxylic acid
CID 154869489
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 86939769
1-fluoro-N-phenylcyclopropane-1-carboxamide
CID 170914538
1-methyl-5-nitrospiro[indole-3,4'-oxane]-2-one
CID 122459681

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide (CID 131691258) is 1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide is CC(C)N1C(=O)C2(CCOCC2)c2cc(NC(=O)C3(F)CCC3)ccc21.
What is the InChIKey of 1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide?
The InChIKey is LPXFBUOWKJNNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-13(2)23-16-5-4-14(22-17(24)20(21)6-3-7-20)12-15(16)19(18(23)25)8-10-26-11-9-19/h4-5,12-13H,3,6-11H2,1-2H3,(H,22,24).
What are the key properties of 1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide?
1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 131691258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).