1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone

C26H23F2NO3 — CID 126706430

IUPAC1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone
SMILESCc1cc(F)c2[nH]cc(C(=O)Cc3ccc(F)cc3OCCOCc3ccccc3)c2c1
InChIInChI=1S/C26H23F2NO3/c1-17-11-21-22(15-29-26(21)23(28)12-17)24(30)13-19-7-8-20(27)14-25(19)32-10-9-31-16-18-5-3-2-4-6-18/h2-8,11-12,14-15,29H,9-10,13,16H2,1H3
InChIKeyAIKAHBRFXODQBP-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.78
Rot. Bonds9

About 1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone

1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone (PubChem CID 126706430) has the molecular formula C26H23F2NO3 and a molecular weight of 435.47 g/mol. Its IUPAC name is 1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone
PubChem CID126706430
Molecular FormulaC26H23F2NO3
Molecular Weight435.47 g/mol
Exact Mass435.16
IUPAC Name1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone
SMILESCc1cc(F)c2[nH]cc(C(=O)Cc3ccc(F)cc3OCCOCc3ccccc3)c2c1
InChIInChI=1S/C26H23F2NO3/c1-17-11-21-22(15-29-26(21)23(28)12-17)24(30)13-19-7-8-20(27)14-25(19)32-10-9-31-16-18-5-3-2-4-6-18/h2-8,11-12,14-15,29H,9-10,13,16H2,1H3
InChIKeyAIKAHBRFXODQBP-UHFFFAOYSA-N
XLogP5.78
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 126697668
1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone
CID 161294319
2-[2-(2-butoxyethoxy)-4-fluorophenyl]-1-(6-methoxy-5-methyl-1H-indol-3-yl)ethanone
CID 126706402
7-fluoro-5-methyl-1H-indole-3-carboxylic acid
CID 130048529
2-(4-fluoro-2-methoxyphenyl)-1-(6-methoxy-7-methyl-1H-indol-3-yl)ethanone
CID 121255014
1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 121255006
2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid
CID 126714734
2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol
CID 126714735
ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate
CID 10382679
2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride
CID 166647906
2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone
CID 126714606
2-[4-fluoro-2-(hydroxymethyl)phenyl]-1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]ethanone
CID 130313569

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone?
The IUPAC name of 1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone (CID 126706430) is 1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone.
What is the SMILES notation for 1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone?
The canonical SMILES for 1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone is Cc1cc(F)c2[nH]cc(C(=O)Cc3ccc(F)cc3OCCOCc3ccccc3)c2c1.
What is the InChIKey of 1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone?
The InChIKey is AIKAHBRFXODQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2NO3/c1-17-11-21-22(15-29-26(21)23(28)12-17)24(30)13-19-7-8-20(27)14-25(19)32-10-9-31-16-18-5-3-2-4-6-18/h2-8,11-12,14-15,29H,9-10,13,16H2,1H3.
What are the key properties of 1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone?
1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone has a molecular weight of 435.47 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone is sourced from PubChem (CID 126706430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).