1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione

C16H12FNO2 — CID 61146711

IUPAC1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione
SMILESCc1cccc2c1N(Cc1cccc(F)c1)C(=O)C2=O
InChIInChI=1S/C16H12FNO2/c1-10-4-2-7-13-14(10)18(16(20)15(13)19)9-11-5-3-6-12(17)8-11/h2-8H,9H2,1H3
InChIKeyQOVHCEJINBJXFL-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.86
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione

1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione (PubChem CID 61146711) has the molecular formula C16H12FNO2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione
PubChem CID61146711
Molecular FormulaC16H12FNO2
Molecular Weight269.27 g/mol
Exact Mass269.09
IUPAC Name1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione
SMILESCc1cccc2c1N(Cc1cccc(F)c1)C(=O)C2=O
InChIInChI=1S/C16H12FNO2/c1-10-4-2-7-13-14(10)18(16(20)15(13)19)9-11-5-3-6-12(17)8-11/h2-8H,9H2,1H3
InChIKeyQOVHCEJINBJXFL-UHFFFAOYSA-N
XLogP2.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(7-methyl-2,3-dioxoindol-1-yl)methyl]benzonitrile
CID 61146244
7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione
CID 61355779
1-[(3-methylphenyl)methyl]-7-(trifluoromethyl)indole-2,3-dione
CID 129218535
1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione
CID 61146245
5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione
CID 106893652
2-(7-methyl-2,3-dioxoindol-1-yl)acetonitrile
CID 4730287
7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione
CID 61147506
1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione
CID 61356665
1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61146079
1-(3-aminopropyl)-7-methylindole-2,3-dione
CID 84622799
7-methyl-1-(2-oxobutyl)indole-2,3-dione
CID 62039974
3-(7-methyl-2,3-dioxoindol-1-yl)propanoic acid
CID 61146875

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione (CID 61146711) is 1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione is Cc1cccc2c1N(Cc1cccc(F)c1)C(=O)C2=O.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione?
The InChIKey is QOVHCEJINBJXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-10-4-2-7-13-14(10)18(16(20)15(13)19)9-11-5-3-6-12(17)8-11/h2-8H,9H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione?
1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione has a molecular weight of 269.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione is sourced from PubChem (CID 61146711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).