5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione

C17H14FNO2 — CID 106893652

IUPAC5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione
SMILESCc1ccccc1CN1C(=O)C(=O)c2cc(F)cc(C)c21
InChIInChI=1S/C17H14FNO2/c1-10-5-3-4-6-12(10)9-19-15-11(2)7-13(18)8-14(15)16(20)17(19)21/h3-8H,9H2,1-2H3
InChIKeyNAOFQNOIAACWKG-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.17
Rot. Bonds2

About 5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione

5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione (PubChem CID 106893652) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione
PubChem CID106893652
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione
SMILESCc1ccccc1CN1C(=O)C(=O)c2cc(F)cc(C)c21
InChIInChI=1S/C17H14FNO2/c1-10-5-3-4-6-12(10)9-19-15-11(2)7-13(18)8-14(15)16(20)17(19)21/h3-8H,9H2,1-2H3
InChIKeyNAOFQNOIAACWKG-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.17
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

5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione
CID 106893563
1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione
CID 106893894
7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione
CID 61356769
1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione
CID 106893506
5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione
CID 106893656
1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione
CID 61146245
1-[(2-fluorophenyl)methyl]-6,7-dimethylindole-2,3-dione
CID 61356077
5-fluoro-7-methyl-1-prop-2-ynylindole-2,3-dione
CID 106893797
1-[(E)-but-2-enyl]-5-fluoro-7-methylindole-2,3-dione
CID 106893650
5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
CID 106893878
1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione
CID 61146711
5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 106893809

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione (CID 106893652) is 5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione is Cc1ccccc1CN1C(=O)C(=O)c2cc(F)cc(C)c21.
What is the InChIKey of 5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione?
The InChIKey is NAOFQNOIAACWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-10-5-3-4-6-12(10)9-19-15-11(2)7-13(18)8-14(15)16(20)17(19)21/h3-8H,9H2,1-2H3.
What are the key properties of 5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione?
5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione has a molecular weight of 283.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 106893652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).