2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone

C15H14F3N3O — CID 58433079

IUPAC2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESNCC(=O)N1c2ccccc2CC1C1=NC=C(C(F)(F)F)C1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)10-6-11(20-8-10)13-5-9-3-1-2-4-12(9)21(13)14(22)7-19/h1-4,8,13H,5-7,19H2
InChIKeyJKSIQRSSOXWYFY-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.19
Rot. Bonds2

About 2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone

2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 58433079) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID58433079
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESNCC(=O)N1c2ccccc2CC1C1=NC=C(C(F)(F)F)C1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)10-6-11(20-8-10)13-5-9-3-1-2-4-12(9)21(13)14(22)7-19/h1-4,8,13H,5-7,19H2
InChIKeyJKSIQRSSOXWYFY-UHFFFAOYSA-N
XLogP2.19
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 2082431
2,2,2-Trifluoro-1-indolinylethan-1-one
CID 4405542
1-[2-(2-Methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 16319744
1-(Trifluoroacetyl)-2-methyl-2,3-dihydro-1H-indole
CID 21224911
1-(2,3-Dihydroindol-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone
CID 2455783
2-Amino-1-(2,3-dihydro-1H-indol-1-yl)-1-propanone hydrochloride
CID 47003259
3-Amino-1-(2-(trifluoromethyl)phenyl)pyrrolidin-2-one
CID 61549153
2-amino-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)propan-1-one hydrochloride
CID 119261578
2-Amino-1-(indolin-1-yl)ethanone
CID 22034314
(2R)-2-amino-1-(4,6-difluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 121571584
1-(4-Fluoropyrrolidine-2-carbonyl)-2,3-dihydro-1H-indole
CID 124041560
1-[(4aS,9bR)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl]-2,2,2-trifluoroethanone
CID 125219115

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone (CID 58433079) is 2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone is NCC(=O)N1c2ccccc2CC1C1=NC=C(C(F)(F)F)C1.
What is the InChIKey of 2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is JKSIQRSSOXWYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)10-6-11(20-8-10)13-5-9-3-1-2-4-12(9)21(13)14(22)7-19/h1-4,8,13H,5-7,19H2.
What are the key properties of 2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone?
2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 309.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 58433079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).