3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one

C26H24FNO2 — CID 167657587

IUPAC3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
SMILESCCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cccc(F)c4)cc3)ccc21
InChIInChI=1S/C26H24FNO2/c1-2-26(30)28-15-14-22-17-21(11-12-24(22)28)19-7-9-20(10-8-19)25(29)13-6-18-4-3-5-23(27)16-18/h3-5,7-12,16-17H,2,6,13-15H2,1H3
InChIKeyRMHNDJWADFTIPH-UHFFFAOYSA-N
MW401.48 g/mol
LogP5.61
Rot. Bonds6

About 3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one

3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one (PubChem CID 167657587) has the molecular formula C26H24FNO2 and a molecular weight of 401.48 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
PubChem CID167657587
Molecular FormulaC26H24FNO2
Molecular Weight401.48 g/mol
Exact Mass401.18
IUPAC Name3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
SMILESCCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cccc(F)c4)cc3)ccc21
InChIInChI=1S/C26H24FNO2/c1-2-26(30)28-15-14-22-17-21(11-12-24(22)28)19-7-9-20(10-8-19)25(29)13-6-18-4-3-5-23(27)16-18/h3-5,7-12,16-17H,2,6,13-15H2,1H3
InChIKeyRMHNDJWADFTIPH-UHFFFAOYSA-N
XLogP5.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.48
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoic acid;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-4-ylpropan-1-one;pyridin-4-ylmethanamine
CID 167613075
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
3-fluoro-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoic acid;1-[3-fluoro-4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;methane;pyridin-3-ylmethanamine
CID 167672398
4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoic acid;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyrimidin-4-ylpropan-1-one;pyrimidin-4-ylmethanamine
CID 167652605
4-[3-(3-fluorophenyl)propanoyl]benzoic acid
CID 82123939
1,3-oxazol-5-ylmethanamine;3-(1,3-oxazol-5-yl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoic acid
CID 167607946
(2,6-dimethyl-3-pyridinyl)methanamine;3-(2,6-dimethyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoic acid
CID 167576848
3-(3-fluorophenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110634561
2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
CID 71015740
N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826
3-methyl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylbutan-1-one;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one
CID 167698888
1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one;1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one;1-[5-(1-propanoyl-2,3-dihydroindol-5-yl)-2-pyridinyl]-3-pyridin-3-ylpropan-1-one
CID 167579352

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one?
The IUPAC name of 3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one (CID 167657587) is 3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one is CCC(=O)N1CCc2cc(-c3ccc(C(=O)CCc4cccc(F)c4)cc3)ccc21.
What is the InChIKey of 3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one?
The InChIKey is RMHNDJWADFTIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO2/c1-2-26(30)28-15-14-22-17-21(11-12-24(22)28)19-7-9-20(10-8-19)25(29)13-6-18-4-3-5-23(27)16-18/h3-5,7-12,16-17H,2,6,13-15H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one?
3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one has a molecular weight of 401.48 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one is sourced from PubChem (CID 167657587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).