1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

C23H19F4N3O3 — CID 122653404

IUPAC1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Oc2cc(F)cc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C23H19F4N3O3/c24-15-10-14(23(25,26)27)11-17(12-15)33-16-4-6-28-21(13-16)30-8-5-18-19(2-1-3-20(18)30)22(32)29-7-9-31/h1-4,6,10-13,31H,5,7-9H2,(H,29,32)
InChIKeyJBKRCELRSYTFCJ-UHFFFAOYSA-N
MW461.42 g/mol
LogP4.45
Rot. Bonds6

About 1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 122653404) has the molecular formula C23H19F4N3O3 and a molecular weight of 461.42 g/mol. Its IUPAC name is 1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
PubChem CID122653404
Molecular FormulaC23H19F4N3O3
Molecular Weight461.42 g/mol
Exact Mass461.14
IUPAC Name1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Oc2cc(F)cc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C23H19F4N3O3/c24-15-10-14(23(25,26)27)11-17(12-15)33-16-4-6-28-21(13-16)30-8-5-18-19(2-1-3-20(18)30)22(32)29-7-9-31/h1-4,6,10-13,31H,5,7-9H2,(H,29,32)
InChIKeyJBKRCELRSYTFCJ-UHFFFAOYSA-N
XLogP4.45
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (CID 122653404) is 1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is O=C(NCCO)c1cccc2c1CCN2c1cc(Oc2cc(F)cc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is JBKRCELRSYTFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N3O3/c24-15-10-14(23(25,26)27)11-17(12-15)33-16-4-6-28-21(13-16)30-8-5-18-19(2-1-3-20(18)30)22(32)29-7-9-31/h1-4,6,10-13,31H,5,7-9H2,(H,29,32).
What are the key properties of 1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 461.42 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).