6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one

C15H21BrN2O — CID 43572711

IUPAC6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCCCCCC(C)NC1C(=O)Nc2cc(Br)ccc21
InChIInChI=1S/C15H21BrN2O/c1-3-4-5-6-10(2)17-14-12-8-7-11(16)9-13(12)18-15(14)19/h7-10,14,17H,3-6H2,1-2H3,(H,18,19)
InChIKeyFTXZSHKDQIMLHE-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.00
Rot. Bonds6

About 6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one

6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 43572711) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID43572711
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCCCCCC(C)NC1C(=O)Nc2cc(Br)ccc21
InChIInChI=1S/C15H21BrN2O/c1-3-4-5-6-10(2)17-14-12-8-7-11(16)9-13(12)18-15(14)19/h7-10,14,17H,3-6H2,1-2H3,(H,18,19)
InChIKeyFTXZSHKDQIMLHE-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one (CID 43572711) is 6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one is CCCCCC(C)NC1C(=O)Nc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is FTXZSHKDQIMLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-3-4-5-6-10(2)17-14-12-8-7-11(16)9-13(12)18-15(14)19/h7-10,14,17H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one?
6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 325.25 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43572711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).