tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate

C15H19FN2O3 — CID 59468798

IUPACtert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate
SMILESCC(=O)Nc1cc2c(cc1F)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C15H19FN2O3/c1-9(19)17-12-8-13-10(7-11(12)16)5-6-18(13)14(20)21-15(2,3)4/h7-8H,5-6H2,1-4H3,(H,17,19)
InChIKeyHMEXOPLNVUZJIU-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.08
Rot. Bonds1

About tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate

tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate (PubChem CID 59468798) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate
PubChem CID59468798
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Nametert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate
SMILESCC(=O)Nc1cc2c(cc1F)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C15H19FN2O3/c1-9(19)17-12-8-13-10(7-11(12)16)5-6-18(13)14(20)21-15(2,3)4/h7-8H,5-6H2,1-4H3,(H,17,19)
InChIKeyHMEXOPLNVUZJIU-UHFFFAOYSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-fluoro-5-formyl-2,3-dihydroindole-1-carboxylate
CID 82624854
tert-butyl 6-acetamido-7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 162753621
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 5-(pentylamino)-2,3-dihydroindole-1-carboxylate
CID 107242303
tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate
CID 83212361
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 6-amino-5-hydroxy-2,3-dihydroindole-1-carboxylate
CID 82382818
tert-butyl 6-fluoro-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole-1-carboxylate
CID 121373471
tert-butyl 5-(2,4-dioxo-1,3-diazinan-1-yl)-2,3-dihydroindole-1-carboxylate
CID 166061240
tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 178200769
tert-butyl 6-(6-acetamido-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 58440932

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate (CID 59468798) is tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate is CC(=O)Nc1cc2c(cc1F)CCN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate?
The InChIKey is HMEXOPLNVUZJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9(19)17-12-8-13-10(7-11(12)16)5-6-18(13)14(20)21-15(2,3)4/h7-8H,5-6H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate?
tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate has a molecular weight of 294.33 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 59468798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).