2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone

C16H13ClF3N3O — CID 71899065

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CNc1ncc(C(F)(F)F)cc1Cl)N1CCc2ccccc21
InChIInChI=1S/C16H13ClF3N3O/c17-12-7-11(16(18,19)20)8-21-15(12)22-9-14(24)23-6-5-10-3-1-2-4-13(10)23/h1-4,7-8H,5-6,9H2,(H,21,22)
InChIKeyNWCQWFRESDXFHW-UHFFFAOYSA-N
MW355.75 g/mol
LogP3.76
Rot. Bonds3

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 71899065) has the molecular formula C16H13ClF3N3O and a molecular weight of 355.75 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID71899065
Molecular FormulaC16H13ClF3N3O
Molecular Weight355.75 g/mol
Exact Mass355.07
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CNc1ncc(C(F)(F)F)cc1Cl)N1CCc2ccccc21
InChIInChI=1S/C16H13ClF3N3O/c17-12-7-11(16(18,19)20)8-21-15(12)22-9-14(24)23-6-5-10-3-1-2-4-13(10)23/h1-4,7-8H,5-6,9H2,(H,21,22)
InChIKeyNWCQWFRESDXFHW-UHFFFAOYSA-N
XLogP3.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.75
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone (CID 71899065) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CNc1ncc(C(F)(F)F)cc1Cl)N1CCc2ccccc21.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is NWCQWFRESDXFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3O/c17-12-7-11(16(18,19)20)8-21-15(12)22-9-14(24)23-6-5-10-3-1-2-4-13(10)23/h1-4,7-8H,5-6,9H2,(H,21,22).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 355.75 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 71899065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).