tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate

C20H22F3N3O3 — CID 58433082

IUPACtert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1c2ccccc2CC1C1=NC=C(C(F)(F)F)C1
InChIInChI=1S/C20H22F3N3O3/c1-19(2,3)29-18(28)25-11-17(27)26-15-7-5-4-6-12(15)8-16(26)14-9-13(10-24-14)20(21,22)23/h4-7,10,16H,8-9,11H2,1-3H3,(H,25,28)
InChIKeyAHCWUOYZYICAKH-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.76
Rot. Bonds3

About tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate

tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate (PubChem CID 58433082) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate
PubChem CID58433082
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Nametert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1c2ccccc2CC1C1=NC=C(C(F)(F)F)C1
InChIInChI=1S/C20H22F3N3O3/c1-19(2,3)29-18(28)25-11-17(27)26-15-7-5-4-6-12(15)8-16(26)14-9-13(10-24-14)20(21,22)23/h4-7,10,16H,8-9,11H2,1-3H3,(H,25,28)
InChIKeyAHCWUOYZYICAKH-UHFFFAOYSA-N
XLogP3.76
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl (2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxylate
CID 168345815
tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate
CID 122141638
tert-butyl N-[1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamate
CID 22612719
tert-butyl N-[1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-yl]carbamate
CID 22612726
tert-butyl N-[(2S)-1-[(2R)-4-fluoro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate
CID 57093684
2-amino-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-1-one
CID 58433060
tert-butyl 2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindole-1-carboxylate
CID 58433070
2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone
CID 58433079
tert-butyl N-[1-oxo-1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]propan-2-yl]carbamate
CID 58433088
tert-butyl N-[1,1,1-trifluoro-3-(2-methylanilino)-3-oxopropan-2-yl]carbamate
CID 60106480
tert-butyl N-[(2S)-1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67530000
tert-butyl N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamate
CID 68388868

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate (CID 58433082) is tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1c2ccccc2CC1C1=NC=C(C(F)(F)F)C1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate?
The InChIKey is AHCWUOYZYICAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-19(2,3)29-18(28)25-11-17(27)26-15-7-5-4-6-12(15)8-16(26)14-9-13(10-24-14)20(21,22)23/h4-7,10,16H,8-9,11H2,1-3H3,(H,25,28).
What are the key properties of tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate has a molecular weight of 409.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethyl]carbamate is sourced from PubChem (CID 58433082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).