5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one

C15H8BrClFNO2 — CID 43457411

IUPAC5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)c3cc(F)cc(Br)c3)c(Cl)cc2N1
InChIInChI=1S/C15H8BrClFNO2/c16-9-1-8(2-10(18)5-9)15(21)11-3-7-4-14(20)19-13(7)6-12(11)17/h1-3,5-6H,4H2,(H,19,20)
InChIKeyDJNVHRRIQRQNIW-UHFFFAOYSA-N
MW368.59 g/mol
LogP3.97
Rot. Bonds2

About 5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one

5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one (PubChem CID 43457411) has the molecular formula C15H8BrClFNO2 and a molecular weight of 368.59 g/mol. Its IUPAC name is 5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one
PubChem CID43457411
Molecular FormulaC15H8BrClFNO2
Molecular Weight368.59 g/mol
Exact Mass366.94
IUPAC Name5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)c3cc(F)cc(Br)c3)c(Cl)cc2N1
InChIInChI=1S/C15H8BrClFNO2/c16-9-1-8(2-10(18)5-9)15(21)11-3-7-4-14(20)19-13(7)6-12(11)17/h1-3,5-6H,4H2,(H,19,20)
InChIKeyDJNVHRRIQRQNIW-UHFFFAOYSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-(2-chloro-6-fluorobenzoyl)-1,3-dihydroindol-2-one
CID 43457450
6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one
CID 103219673
6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 106860794
5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 106851318
6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 80536252
5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
CID 10541398
5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 79981558
6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one
CID 43457490
6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one
CID 65151637
5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one
CID 65454554
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43457466

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one (CID 43457411) is 5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)c3cc(F)cc(Br)c3)c(Cl)cc2N1.
What is the InChIKey of 5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is DJNVHRRIQRQNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClFNO2/c16-9-1-8(2-10(18)5-9)15(21)11-3-7-4-14(20)19-13(7)6-12(11)17/h1-3,5-6H,4H2,(H,19,20).
What are the key properties of 5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one?
5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 368.59 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43457411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).