1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone

C23H17F3N2O2 — CID 71542742

IUPAC1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone
SMILESO=C(c1c[nH]c2ccccc12)C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)30-17-10-6-9-16(13-17)28-21(15-7-2-1-3-8-15)22(29)19-14-27-20-12-5-4-11-18(19)20/h1-14,21,27-28H
InChIKeyBPOZPSSEJOZXNU-UHFFFAOYSA-N
MW410.40 g/mol
LogP6.10
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone

1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone (PubChem CID 71542742) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone
PubChem CID71542742
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC Name1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone
SMILESO=C(c1c[nH]c2ccccc12)C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)30-17-10-6-9-16(13-17)28-21(15-7-2-1-3-8-15)22(29)19-14-27-20-12-5-4-11-18(19)20/h1-14,21,27-28H
InChIKeyBPOZPSSEJOZXNU-UHFFFAOYSA-N
XLogP6.10
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone (CID 71542742) is 1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone is O=C(c1c[nH]c2ccccc12)C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone?
The InChIKey is BPOZPSSEJOZXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c24-23(25,26)30-17-10-6-9-16(13-17)28-21(15-7-2-1-3-8-15)22(29)19-14-27-20-12-5-4-11-18(19)20/h1-14,21,27-28H.
What are the key properties of 1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone?
1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone has a molecular weight of 410.40 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-phenyl-2-[3-(trifluoromethoxy)anilino]ethanone is sourced from PubChem (CID 71542742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).