5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione

C16H21FN2O2 — CID 106894071

IUPAC5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione
SMILESCc1cc(F)cc2c1N(CC(C)CNC(C)C)C(=O)C2=O
InChIInChI=1S/C16H21FN2O2/c1-9(2)18-7-10(3)8-19-14-11(4)5-12(17)6-13(14)15(20)16(19)21/h5-6,9-10,18H,7-8H2,1-4H3
InChIKeyXCNDSRLHKALMCD-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.30
Rot. Bonds5

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

5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione (PubChem CID 106894071) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione
PubChem CID106894071
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione
SMILESCc1cc(F)cc2c1N(CC(C)CNC(C)C)C(=O)C2=O
InChIInChI=1S/C16H21FN2O2/c1-9(2)18-7-10(3)8-19-14-11(4)5-12(17)6-13(14)15(20)16(19)21/h5-6,9-10,18H,7-8H2,1-4H3
InChIKeyXCNDSRLHKALMCD-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione?
The IUPAC name of 5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione (CID 106894071) is 5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione.
What is the SMILES notation for 5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione?
The canonical SMILES for 5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione is Cc1cc(F)cc2c1N(CC(C)CNC(C)C)C(=O)C2=O.
What is the InChIKey of 5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione?
The InChIKey is XCNDSRLHKALMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-9(2)18-7-10(3)8-19-14-11(4)5-12(17)6-13(14)15(20)16(19)21/h5-6,9-10,18H,7-8H2,1-4H3.
What are the key properties of 5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione?
5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione has a molecular weight of 292.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]indole-2,3-dione is sourced from PubChem (CID 106894071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).