2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione

C24H16FNO2 — CID 102496981

IUPAC2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C(c1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H16FNO2/c25-15-11-9-14(10-12-15)21(19-13-26-20-8-4-3-5-16(19)20)22-23(27)17-6-1-2-7-18(17)24(22)28/h1-13,21-22,26H
InChIKeyGEDCZURNYZUGAU-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.13
Rot. Bonds3

About 2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione

2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione (PubChem CID 102496981) has the molecular formula C24H16FNO2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione
PubChem CID102496981
Molecular FormulaC24H16FNO2
Molecular Weight369.40 g/mol
Exact Mass369.12
IUPAC Name2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C(c1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H16FNO2/c25-15-11-9-14(10-12-15)21(19-13-26-20-8-4-3-5-16(19)20)22-23(27)17-6-1-2-7-18(17)24(22)28/h1-13,21-22,26H
InChIKeyGEDCZURNYZUGAU-UHFFFAOYSA-N
XLogP5.13
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione
CID 129384522
5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 25098653
5-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126115706
5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11131857
3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
CID 3550541
3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole
CID 102035886
5-[(R)-[4-[(3-fluorophenyl)methoxy]phenyl]-(1H-indol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126115856
3-propan-2-yl-1H-indole
CID 12534824
5-[(S)-[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]-(1H-indol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126125231
5-[(R)-[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]-(1H-indol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126125224
2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione
CID 4065719
2-(3-fluorophenyl)-2-(1H-indol-3-yl)ethanol
CID 175098776

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione?
The IUPAC name of 2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione (CID 102496981) is 2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione?
The canonical SMILES for 2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione is O=C1c2ccccc2C(=O)C1C(c1ccc(F)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione?
The InChIKey is GEDCZURNYZUGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO2/c25-15-11-9-14(10-12-15)21(19-13-26-20-8-4-3-5-16(19)20)22-23(27)17-6-1-2-7-18(17)24(22)28/h1-13,21-22,26H.
What are the key properties of 2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione?
2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione has a molecular weight of 369.40 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione is sourced from PubChem (CID 102496981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).