1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone

C23H17F2NO2 — CID 58200474

IUPAC1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C23H17F2NO2/c1-13(27)14-6-8-17(22(12-14)28-2)15-7-9-20-16(10-15)11-21(26-20)23-18(24)4-3-5-19(23)25/h3-12,26H,1-2H3
InChIKeyBNNDICCIXTZKSJ-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.99
Rot. Bonds4

About 1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone

1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone (PubChem CID 58200474) has the molecular formula C23H17F2NO2 and a molecular weight of 377.39 g/mol. Its IUPAC name is 1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone
PubChem CID58200474
Molecular FormulaC23H17F2NO2
Molecular Weight377.39 g/mol
Exact Mass377.12
IUPAC Name1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C23H17F2NO2/c1-13(27)14-6-8-17(22(12-14)28-2)15-7-9-20-16(10-15)11-21(26-20)23-18(24)4-3-5-19(23)25/h3-12,26H,1-2H3
InChIKeyBNNDICCIXTZKSJ-UHFFFAOYSA-N
XLogP5.99
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
CID 20716225
5-[2,4-bis(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)-1H-indole
CID 51037097
1-(2-phenyl-1H-indol-5-yl)ethanone
CID 44542857
4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole
CID 51037930
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
2-(2,6-difluorophenyl)-5-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-1H-indole
CID 58200729
1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone
CID 54911823
1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone
CID 24996134
N-[(2,6-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662908
4-(4-ethoxycarbonyl-3-fluorophenyl)-3-methoxybenzoic acid
CID 53228416
1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone
CID 61033105
1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]butane-1,4-dione
CID 167552594

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone (CID 58200474) is 1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone is COc1cc(C(C)=O)ccc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone?
The InChIKey is BNNDICCIXTZKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO2/c1-13(27)14-6-8-17(22(12-14)28-2)15-7-9-20-16(10-15)11-21(26-20)23-18(24)4-3-5-19(23)25/h3-12,26H,1-2H3.
What are the key properties of 1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone?
1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone has a molecular weight of 377.39 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-3-methoxyphenyl]ethanone is sourced from PubChem (CID 58200474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).