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

C16H11Cl2NO2 — CID 106860794

IUPAC6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one
SMILESCc1ccc(C(=O)c2cc3c(cc2Cl)NC(=O)C3)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO2/c1-8-2-3-10(12(17)4-8)16(21)11-5-9-6-15(20)19-14(9)7-13(11)18/h2-5,7H,6H2,1H3,(H,19,20)
InChIKeyPUZAXNKIMAJXAO-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.03
Rot. Bonds2

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

6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one (PubChem CID 106860794) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one
PubChem CID106860794
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one
SMILESCc1ccc(C(=O)c2cc3c(cc2Cl)NC(=O)C3)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO2/c1-8-2-3-10(12(17)4-8)16(21)11-5-9-6-15(20)19-14(9)7-13(11)18/h2-5,7H,6H2,1H3,(H,19,20)
InChIKeyPUZAXNKIMAJXAO-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one
CID 65454554
6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one
CID 65151637
5-(5-bromo-4-methylthiophene-2-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 79981558
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
6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one
CID 106826590
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
CID 3730946
5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one
CID 43457411
6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one
CID 43457490
5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
CID 10541398
6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 80536252
6-chloro-5-methyl-1,3-dihydroindol-2-one;ethane
CID 144928829

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one (CID 106860794) is 6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one is Cc1ccc(C(=O)c2cc3c(cc2Cl)NC(=O)C3)c(Cl)c1.
What is the InChIKey of 6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one?
The InChIKey is PUZAXNKIMAJXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c1-8-2-3-10(12(17)4-8)16(21)11-5-9-6-15(20)19-14(9)7-13(11)18/h2-5,7H,6H2,1H3,(H,19,20).
What are the key properties of 6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one?
6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one has a molecular weight of 320.18 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106860794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).