1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone

C24H19F2NO — CID 58240863

IUPAC1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone
SMILESCC(=O)c1c(-c2ccccc2F)c2cc(C)ccc2n1Cc1ccccc1F
InChIInChI=1S/C24H19F2NO/c1-15-11-12-22-19(13-15)23(18-8-4-6-10-21(18)26)24(16(2)28)27(22)14-17-7-3-5-9-20(17)25/h3-13H,14H2,1-2H3
InChIKeyXTCGXVJEHVHQCQ-UHFFFAOYSA-N
MW375.42 g/mol
LogP6.15
Rot. Bonds4

About 1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone

1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone (PubChem CID 58240863) has the molecular formula C24H19F2NO and a molecular weight of 375.42 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone
PubChem CID58240863
Molecular FormulaC24H19F2NO
Molecular Weight375.42 g/mol
Exact Mass375.14
IUPAC Name1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone
SMILESCC(=O)c1c(-c2ccccc2F)c2cc(C)ccc2n1Cc1ccccc1F
InChIInChI=1S/C24H19F2NO/c1-15-11-12-22-19(13-15)23(18-8-4-6-10-21(18)26)24(16(2)28)27(22)14-17-7-3-5-9-20(17)25/h3-13H,14H2,1-2H3
InChIKeyXTCGXVJEHVHQCQ-UHFFFAOYSA-N
XLogP6.15
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid
CID 25226741
3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid
CID 143773976
N-cyclopropylsulfanyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 143773362
1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone
CID 58240973
3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
CID 143773929
1-[(2-fluoro-3-methylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 58240990
1-[5-bromo-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-ethylsulfonylethanone
CID 58132375
1-[(2,6-difluorophenyl)methyl]-3-(2-fluorophenyl)indole-2-carboxylic acid
CID 71592108
1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide
CID 59490904
ethane;ethyl 5-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate;methanol
CID 143773578
[1-[(2-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333263
3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one
CID 158842063

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone?
The IUPAC name of 1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone (CID 58240863) is 1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone?
The canonical SMILES for 1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone is CC(=O)c1c(-c2ccccc2F)c2cc(C)ccc2n1Cc1ccccc1F.
What is the InChIKey of 1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone?
The InChIKey is XTCGXVJEHVHQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2NO/c1-15-11-12-22-19(13-15)23(18-8-4-6-10-21(18)26)24(16(2)28)27(22)14-17-7-3-5-9-20(17)25/h3-13H,14H2,1-2H3.
What are the key properties of 1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone?
1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone has a molecular weight of 375.42 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindol-2-yl]ethanone is sourced from PubChem (CID 58240863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).