N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide

C14H18BrN3O2 — CID 43202942

IUPACN-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C14H18BrN3O2/c1-8(2)13(19)17-6-5-16-12-10-7-9(15)3-4-11(10)18-14(12)20/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWUZDFXSUEARBFT-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.80
Rot. Bonds5

About N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide

N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide (PubChem CID 43202942) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide
PubChem CID43202942
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC NameN-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C14H18BrN3O2/c1-8(2)13(19)17-6-5-16-12-10-7-9(15)3-4-11(10)18-14(12)20/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWUZDFXSUEARBFT-UHFFFAOYSA-N
XLogP1.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide (CID 43202942) is N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC1C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide?
The InChIKey is WUZDFXSUEARBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-8(2)13(19)17-6-5-16-12-10-7-9(15)3-4-11(10)18-14(12)20/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide?
N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide has a molecular weight of 340.22 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 43202942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).