1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone

C17H15F3N2O — CID 4818722

IUPAC1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
SMILESO=C(CNc1cccc(C(F)(F)F)c1)N1CCc2ccccc21
InChIInChI=1S/C17H15F3N2O/c18-17(19,20)13-5-3-6-14(10-13)21-11-16(23)22-9-8-12-4-1-2-7-15(12)22/h1-7,10,21H,8-9,11H2
InChIKeyMAJOQQUZXORFNT-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.71
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone (PubChem CID 4818722) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
PubChem CID4818722
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
SMILESO=C(CNc1cccc(C(F)(F)F)c1)N1CCc2ccccc21
InChIInChI=1S/C17H15F3N2O/c18-17(19,20)13-5-3-6-14(10-13)21-11-16(23)22-9-8-12-4-1-2-7-15(12)22/h1-7,10,21H,8-9,11H2
InChIKeyMAJOQQUZXORFNT-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841691
N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839150
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9098782
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
1-(2,3-dihydroindol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethanone
CID 134017012
1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone
CID 54825093
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839210
2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54823310
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842688
2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone
CID 109176438
1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one
CID 109034782

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone (CID 4818722) is 1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone is O=C(CNc1cccc(C(F)(F)F)c1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone?
The InChIKey is MAJOQQUZXORFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c18-17(19,20)13-5-3-6-14(10-13)21-11-16(23)22-9-8-12-4-1-2-7-15(12)22/h1-7,10,21H,8-9,11H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone has a molecular weight of 320.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone is sourced from PubChem (CID 4818722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).