4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile

C15H10BrN3O2 — CID 79344593

IUPAC4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2cc3c(cc2Br)C(N)C(=O)N3)cc1
InChIInChI=1S/C15H10BrN3O2/c16-11-5-10-12(19-15(20)14(10)18)6-13(11)21-9-3-1-8(7-17)2-4-9/h1-6,14H,18H2,(H,19,20)
InChIKeyNIKXWOPYCZINTB-UHFFFAOYSA-N
MW344.17 g/mol
LogP3.06
Rot. Bonds2

About 4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile

4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile (PubChem CID 79344593) has the molecular formula C15H10BrN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is 4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile.

Molecular Properties

Compound Name4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile
PubChem CID79344593
Molecular FormulaC15H10BrN3O2
Molecular Weight344.17 g/mol
Exact Mass343.00
IUPAC Name4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2cc3c(cc2Br)C(N)C(=O)N3)cc1
InChIInChI=1S/C15H10BrN3O2/c16-11-5-10-12(19-15(20)14(10)18)6-13(11)21-9-3-1-8(7-17)2-4-9/h1-6,14H,18H2,(H,19,20)
InChIKeyNIKXWOPYCZINTB-UHFFFAOYSA-N
XLogP3.06
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one
CID 81314354
3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one
CID 79343739
3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one
CID 79344513
3-amino-6-(2-ethoxyphenoxy)-1,3-dihydroindol-2-one
CID 63370491
4-(4-bromo-5-fluoro-2-nitrophenoxy)benzonitrile
CID 103483260
3-amino-6-[(2-methylpropan-2-yl)oxy]-1,3-dihydroindol-2-one
CID 63369685
3-bromo-4-[4-(methylamino)phenoxy]benzonitrile
CID 82801460
4-(5-bromo-2-formylphenoxy)benzonitrile
CID 43364710
4-(4-bromo-2-fluorophenoxy)benzonitrile
CID 28876598
3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile
CID 78166490
N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 86874533
3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one
CID 79345048

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile?
The IUPAC name of 4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile (CID 79344593) is 4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile.
What is the SMILES notation for 4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile?
The canonical SMILES for 4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile is N#Cc1ccc(Oc2cc3c(cc2Br)C(N)C(=O)N3)cc1.
What is the InChIKey of 4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile?
The InChIKey is NIKXWOPYCZINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O2/c16-11-5-10-12(19-15(20)14(10)18)6-13(11)21-9-3-1-8(7-17)2-4-9/h1-6,14H,18H2,(H,19,20).
What are the key properties of 4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile?
4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile has a molecular weight of 344.17 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile is sourced from PubChem (CID 79344593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).