2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide

C22H16F3N3O3 — CID 68991837

IUPAC2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc2[nH]ccc2c1)Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C22H16F3N3O3/c23-22(24,25)31-17-4-2-16(3-5-17)30-18-6-8-20(27-13-18)28-21(29)12-14-1-7-19-15(11-14)9-10-26-19/h1-11,13,26H,12H2,(H,27,28,29)
InChIKeyKKBVBCCKWGHJIZ-UHFFFAOYSA-N
MW427.38 g/mol
LogP5.43
Rot. Bonds6

About 2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide

2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide (PubChem CID 68991837) has the molecular formula C22H16F3N3O3 and a molecular weight of 427.38 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide
PubChem CID68991837
Molecular FormulaC22H16F3N3O3
Molecular Weight427.38 g/mol
Exact Mass427.11
IUPAC Name2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc2[nH]ccc2c1)Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C22H16F3N3O3/c23-22(24,25)31-17-4-2-16(3-5-17)30-18-6-8-20(27-13-18)28-21(29)12-14-1-7-19-15(11-14)9-10-26-19/h1-11,13,26H,12H2,(H,27,28,29)
InChIKeyKKBVBCCKWGHJIZ-UHFFFAOYSA-N
XLogP5.43
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 68637610
2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid
CID 175488495
N-(1H-indol-5-ylmethyl)-5-(4-methylphenoxy)pyridine-2-carboxamide
CID 68637316
2-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18277342
N-[5-(trifluoromethoxy)-2-pyridinyl]-1H-indol-6-amine
CID 155412381
2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide
CID 68825664
2-phenyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 168875352
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
N-(1H-pyrazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 60506630
2-(1-methylindol-5-yl)-N-[2-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
CID 118962040
N-cycloheptyl-2-(1H-indol-5-yl)acetamide
CID 84577573
N-(2,4-dichlorophenyl)-2-(1H-indol-5-yl)acetamide
CID 110476487

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide?
The IUPAC name of 2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide (CID 68991837) is 2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide is O=C(Cc1ccc2[nH]ccc2c1)Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide?
The InChIKey is KKBVBCCKWGHJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O3/c23-22(24,25)31-17-4-2-16(3-5-17)30-18-6-8-20(27-13-18)28-21(29)12-14-1-7-19-15(11-14)9-10-26-19/h1-11,13,26H,12H2,(H,27,28,29).
What are the key properties of 2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide?
2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide has a molecular weight of 427.38 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 68991837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).