5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one

C15H12BrClN2O2 — CID 61390866

IUPAC5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3cccc(Br)c3O)c(Cl)cc2N1
InChIInChI=1S/C15H12BrClN2O2/c16-10-3-1-2-8(15(10)21)7-18-13-4-9-5-14(20)19-12(9)6-11(13)17/h1-4,6,18,21H,5,7H2,(H,19,20)
InChIKeyGCNRMIBNXFTDBW-UHFFFAOYSA-N
MW367.63 g/mol
LogP3.91
Rot. Bonds3

About 5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one

5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 61390866) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is 5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
PubChem CID61390866
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC Name5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3cccc(Br)c3O)c(Cl)cc2N1
InChIInChI=1S/C15H12BrClN2O2/c16-10-3-1-2-8(15(10)21)7-18-13-4-9-5-14(20)19-12(9)6-11(13)17/h1-4,6,18,21H,5,7H2,(H,19,20)
InChIKeyGCNRMIBNXFTDBW-UHFFFAOYSA-N
XLogP3.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one (CID 61390866) is 5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(NCc3cccc(Br)c3O)c(Cl)cc2N1.
What is the InChIKey of 5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is GCNRMIBNXFTDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c16-10-3-1-2-8(15(10)21)7-18-13-4-9-5-14(20)19-12(9)6-11(13)17/h1-4,6,18,21H,5,7H2,(H,19,20).
What are the key properties of 5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one?
5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 367.63 g/mol, XLogP of 3.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 61390866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).