3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione

C15H14BrN3O3 — CID 175638948

IUPAC3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione
SMILESCN1C(=O)C(C)(N2CC=CC(=O)NC2=O)c2cccc(Br)c21
InChIInChI=1S/C15H14BrN3O3/c1-15(19-8-4-7-11(20)17-14(19)22)9-5-3-6-10(16)12(9)18(2)13(15)21/h3-7H,8H2,1-2H3,(H,17,20,22)
InChIKeyODYUFXKNGDQURC-UHFFFAOYSA-N
MW364.20 g/mol
LogP1.75
Rot. Bonds1

About 3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione

3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione (PubChem CID 175638948) has the molecular formula C15H14BrN3O3 and a molecular weight of 364.20 g/mol. Its IUPAC name is 3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione.

Molecular Properties

Compound Name3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione
PubChem CID175638948
Molecular FormulaC15H14BrN3O3
Molecular Weight364.20 g/mol
Exact Mass363.02
IUPAC Name3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione
SMILESCN1C(=O)C(C)(N2CC=CC(=O)NC2=O)c2cccc(Br)c21
InChIInChI=1S/C15H14BrN3O3/c1-15(19-8-4-7-11(20)17-14(19)22)9-5-3-6-10(16)12(9)18(2)13(15)21/h3-7H,8H2,1-2H3,(H,17,20,22)
InChIKeyODYUFXKNGDQURC-UHFFFAOYSA-N
XLogP1.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione?
The IUPAC name of 3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione (CID 175638948) is 3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione.
What is the SMILES notation for 3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione?
The canonical SMILES for 3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione is CN1C(=O)C(C)(N2CC=CC(=O)NC2=O)c2cccc(Br)c21.
What is the InChIKey of 3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione?
The InChIKey is ODYUFXKNGDQURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3/c1-15(19-8-4-7-11(20)17-14(19)22)9-5-3-6-10(16)12(9)18(2)13(15)21/h3-7H,8H2,1-2H3,(H,17,20,22).
What are the key properties of 3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione?
3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione has a molecular weight of 364.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-1,3-dimethyl-2-oxoindol-3-yl)-4H-1,3-diazepine-2,7-dione is sourced from PubChem (CID 175638948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).