7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione

C14H16BrFN2O2 — CID 61388284

IUPAC7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione
SMILESCCCNCCCN1C(=O)C(=O)c2cc(F)cc(Br)c21
InChIInChI=1S/C14H16BrFN2O2/c1-2-4-17-5-3-6-18-12-10(13(19)14(18)20)7-9(16)8-11(12)15/h7-8,17H,2-6H2,1H3
InChIKeyOSUAAPZCYIUGRO-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.51
Rot. Bonds6

About 7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione

7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione (PubChem CID 61388284) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione
PubChem CID61388284
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione
SMILESCCCNCCCN1C(=O)C(=O)c2cc(F)cc(Br)c21
InChIInChI=1S/C14H16BrFN2O2/c1-2-4-17-5-3-6-18-12-10(13(19)14(18)20)7-9(16)8-11(12)15/h7-8,17H,2-6H2,1H3
InChIKeyOSUAAPZCYIUGRO-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-5-fluoro-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione
CID 61388459
7-bromo-1-(2-butoxyethyl)-5-fluoroindole-2,3-dione
CID 61483091
7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione
CID 61356601
7-bromo-5-fluoro-1-(3-oxobutyl)indole-2,3-dione
CID 62023663
7-bromo-5-fluoro-1-(3-methoxy-3-methylbutyl)indole-2,3-dione
CID 103034134
5,7-dibromo-1-octylindole-2,3-dione
CID 4730303
4-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-2,2-dimethylbutanenitrile
CID 65252928
2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid
CID 61355936
7-bromo-1-but-2-enyl-5-fluoroindole-2,3-dione
CID 61357103
7-bromo-1-[2-(bromomethyl)butyl]-5-fluoroindole-2,3-dione
CID 64994842
2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
CID 61355939
7-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]-5-fluoroindole-2,3-dione
CID 66473136

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione?
The IUPAC name of 7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione (CID 61388284) is 7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione.
What is the SMILES notation for 7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione?
The canonical SMILES for 7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione is CCCNCCCN1C(=O)C(=O)c2cc(F)cc(Br)c21.
What is the InChIKey of 7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione?
The InChIKey is OSUAAPZCYIUGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c1-2-4-17-5-3-6-18-12-10(13(19)14(18)20)7-9(16)8-11(12)15/h7-8,17H,2-6H2,1H3.
What are the key properties of 7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione?
7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione has a molecular weight of 343.20 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-1-[3-(propylamino)propyl]indole-2,3-dione is sourced from PubChem (CID 61388284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).