6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one

C15H8Cl2INO2 — CID 103219673

IUPAC6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)c3ccc(I)c(Cl)c3)c(Cl)cc2N1
InChIInChI=1S/C15H8Cl2INO2/c16-10-6-13-8(5-14(20)19-13)3-9(10)15(21)7-1-2-12(18)11(17)4-7/h1-4,6H,5H2,(H,19,20)
InChIKeySRDRHQWJTNLCEL-UHFFFAOYSA-N
MW432.04 g/mol
LogP4.32
Rot. Bonds2

About 6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one

6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one (PubChem CID 103219673) has the molecular formula C15H8Cl2INO2 and a molecular weight of 432.04 g/mol. Its IUPAC name is 6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one
PubChem CID103219673
Molecular FormulaC15H8Cl2INO2
Molecular Weight432.04 g/mol
Exact Mass430.90
IUPAC Name6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)c3ccc(I)c(Cl)c3)c(Cl)cc2N1
InChIInChI=1S/C15H8Cl2INO2/c16-10-6-13-8(5-14(20)19-13)3-9(10)15(21)7-1-2-12(18)11(17)4-7/h1-4,6H,5H2,(H,19,20)
InChIKeySRDRHQWJTNLCEL-UHFFFAOYSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.04
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one
CID 43457490
6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 106860794
5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one
CID 43457411
5-(2-iodobenzoyl)-1,3-dihydroindol-2-one
CID 43338616
6-chloro-5-(2-chloro-6-fluorobenzoyl)-1,3-dihydroindol-2-one
CID 43457450
5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 106851318
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
CID 3730946
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-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
CID 10541398
6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one
CID 106826590
6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 80536252

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one (CID 103219673) is 6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)c3ccc(I)c(Cl)c3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one?
The InChIKey is SRDRHQWJTNLCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2INO2/c16-10-6-13-8(5-14(20)19-13)3-9(10)15(21)7-1-2-12(18)11(17)4-7/h1-4,6H,5H2,(H,19,20).
What are the key properties of 6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one?
6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one has a molecular weight of 432.04 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 103219673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).