5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one

C14H17BrN2O2 — CID 79335984

IUPAC5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one
SMILESCC1CC1CN(C)c1cc2c(cc1Br)C(O)C(=O)N2
InChIInChI=1S/C14H17BrN2O2/c1-7-3-8(7)6-17(2)12-5-11-9(4-10(12)15)13(18)14(19)16-11/h4-5,7-8,13,18H,3,6H2,1-2H3,(H,16,19)
InChIKeyNGWXEDSQTIXRBL-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.53
Rot. Bonds3

About 5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one

5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one (PubChem CID 79335984) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one
PubChem CID79335984
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one
SMILESCC1CC1CN(C)c1cc2c(cc1Br)C(O)C(=O)N2
InChIInChI=1S/C14H17BrN2O2/c1-7-3-8(7)6-17(2)12-5-11-9(4-10(12)15)13(18)14(19)16-11/h4-5,7-8,13,18H,3,6H2,1-2H3,(H,16,19)
InChIKeyNGWXEDSQTIXRBL-UHFFFAOYSA-N
XLogP2.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one (CID 79335984) is 5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one is CC1CC1CN(C)c1cc2c(cc1Br)C(O)C(=O)N2.
What is the InChIKey of 5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one?
The InChIKey is NGWXEDSQTIXRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-7-3-8(7)6-17(2)12-5-11-9(4-10(12)15)13(18)14(19)16-11/h4-5,7-8,13,18H,3,6H2,1-2H3,(H,16,19).
What are the key properties of 5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one?
5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one has a molecular weight of 325.21 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79335984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).