2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid

C25H23F3N2O4 — CID 167834146

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CNc2ccccc21)Nc1ccc(COc2ccccc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H22N2O2.C2HF3O2/c26-23(14-18-15-24-22-9-5-4-8-21(18)22)25-19-12-10-17(11-13-19)16-27-20-6-2-1-3-7-20;3-2(4,5)1(6)7/h1-13,18,24H,14-16H2,(H,25,26);(H,6,7)
InChIKeyNUSCLNYXBXUTJP-UHFFFAOYSA-N
MW472.46 g/mol
LogP5.44
Rot. Bonds6

About 2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid

2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 167834146) has the molecular formula C25H23F3N2O4 and a molecular weight of 472.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID167834146
Molecular FormulaC25H23F3N2O4
Molecular Weight472.46 g/mol
Exact Mass472.16
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CNc2ccccc21)Nc1ccc(COc2ccccc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H22N2O2.C2HF3O2/c26-23(14-18-15-24-22-9-5-4-8-21(18)22)25-19-12-10-17(11-13-19)16-27-20-6-2-1-3-7-20;3-2(4,5)1(6)7/h1-13,18,24H,14-16H2,(H,25,26);(H,6,7)
InChIKeyNUSCLNYXBXUTJP-UHFFFAOYSA-N
XLogP5.44
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.46
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 80572001
N-(4-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573033
2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 80572158
N-(3-chlorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573961
2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332228
2-chloro-N-[4-(phenoxymethyl)phenyl]acetamide
CID 82108856
2-(2,3-dihydro-1H-indol-3-yl)-N-pyridazin-3-ylacetamide
CID 116786750
N-(4-phenylmethoxyphenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119669311
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide
CID 162787462
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571757
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid (CID 167834146) is 2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid is O=C(CC1CNc2ccccc21)Nc1ccc(COc2ccccc2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is NUSCLNYXBXUTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2.C2HF3O2/c26-23(14-18-15-24-22-9-5-4-8-21(18)22)25-19-12-10-17(11-13-19)16-27-20-6-2-1-3-7-20;3-2(4,5)1(6)7/h1-13,18,24H,14-16H2,(H,25,26);(H,6,7).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid?
2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 472.46 g/mol, XLogP of 5.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167834146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).