5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one

C13H7BrClNO3 — CID 106851318

IUPAC5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)c3ccoc3Br)c(Cl)cc2N1
InChIInChI=1S/C13H7BrClNO3/c14-13-7(1-2-19-13)12(18)8-3-6-4-11(17)16-10(6)5-9(8)15/h1-3,5H,4H2,(H,16,17)
InChIKeyQFJCDHLQPRBKDA-UHFFFAOYSA-N
MW340.56 g/mol
LogP3.42
Rot. Bonds2

About 5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one

5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one (PubChem CID 106851318) has the molecular formula C13H7BrClNO3 and a molecular weight of 340.56 g/mol. Its IUPAC name is 5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one
PubChem CID106851318
Molecular FormulaC13H7BrClNO3
Molecular Weight340.56 g/mol
Exact Mass338.93
IUPAC Name5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)c3ccoc3Br)c(Cl)cc2N1
InChIInChI=1S/C13H7BrClNO3/c14-13-7(1-2-19-13)12(18)8-3-6-4-11(17)16-10(6)5-9(8)15/h1-3,5H,4H2,(H,16,17)
InChIKeyQFJCDHLQPRBKDA-UHFFFAOYSA-N
XLogP3.42
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 106860794
6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 80536252
5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one
CID 65454554
5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 79981558
6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one
CID 65151637
5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
CID 10541398
5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one
CID 43457411
6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one
CID 103219673
6-chloro-5-(2-chloro-6-fluorobenzoyl)-1,3-dihydroindol-2-one
CID 43457450
2-chloro-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)furan-3-carboxamide
CID 106685945
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
CID 3730946
6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one
CID 43457490

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one (CID 106851318) is 5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)c3ccoc3Br)c(Cl)cc2N1.
What is the InChIKey of 5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is QFJCDHLQPRBKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClNO3/c14-13-7(1-2-19-13)12(18)8-3-6-4-11(17)16-10(6)5-9(8)15/h1-3,5H,4H2,(H,16,17).
What are the key properties of 5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one?
5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 340.56 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 106851318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).