3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one

C14H20BrN3O — CID 79344380

IUPAC3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one
SMILESCCCN(c1cc2c(cc1Br)C(N)C(=O)N2)C(C)C
InChIInChI=1S/C14H20BrN3O/c1-4-5-18(8(2)3)12-7-11-9(6-10(12)15)13(16)14(19)17-11/h6-8,13H,4-5,16H2,1-3H3,(H,17,19)
InChIKeyGFGLROURQXAJGA-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.03
Rot. Bonds4

About 3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one

3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one (PubChem CID 79344380) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one
PubChem CID79344380
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one
SMILESCCCN(c1cc2c(cc1Br)C(N)C(=O)N2)C(C)C
InChIInChI=1S/C14H20BrN3O/c1-4-5-18(8(2)3)12-7-11-9(6-10(12)15)13(16)14(19)17-11/h6-8,13H,4-5,16H2,1-3H3,(H,17,19)
InChIKeyGFGLROURQXAJGA-UHFFFAOYSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one (CID 79344380) is 3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one is CCCN(c1cc2c(cc1Br)C(N)C(=O)N2)C(C)C.
What is the InChIKey of 3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is GFGLROURQXAJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-4-5-18(8(2)3)12-7-11-9(6-10(12)15)13(16)14(19)17-11/h6-8,13H,4-5,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 326.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).