2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide

C14H18BrN3O3 — CID 79343927

IUPAC2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1cc2c(cc1Br)C(O)C(=O)N2
InChIInChI=1S/C14H18BrN3O3/c1-2-3-4-18(7-12(16)19)11-6-10-8(5-9(11)15)13(20)14(21)17-10/h5-6,13,20H,2-4,7H2,1H3,(H2,16,19)(H,17,21)
InChIKeyRPVRGSMPTWSLOL-UHFFFAOYSA-N
MW356.22 g/mol
LogP1.53
Rot. Bonds6

About 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide

2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide (PubChem CID 79343927) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide
PubChem CID79343927
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1cc2c(cc1Br)C(O)C(=O)N2
InChIInChI=1S/C14H18BrN3O3/c1-2-3-4-18(7-12(16)19)11-6-10-8(5-9(11)15)13(20)14(21)17-10/h5-6,13,20H,2-4,7H2,1H3,(H2,16,19)(H,17,21)
InChIKeyRPVRGSMPTWSLOL-UHFFFAOYSA-N
XLogP1.53
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide?
The IUPAC name of 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide (CID 79343927) is 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide.
What is the SMILES notation for 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide?
The canonical SMILES for 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide is CCCCN(CC(N)=O)c1cc2c(cc1Br)C(O)C(=O)N2.
What is the InChIKey of 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide?
The InChIKey is RPVRGSMPTWSLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-2-3-4-18(7-12(16)19)11-6-10-8(5-9(11)15)13(20)14(21)17-10/h5-6,13,20H,2-4,7H2,1H3,(H2,16,19)(H,17,21).
What are the key properties of 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide?
2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide has a molecular weight of 356.22 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide is sourced from PubChem (CID 79343927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).