5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one

C16H11ClFNO2 — CID 81265370

IUPAC5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)c3cccc(Cl)c3F)ccc21
InChIInChI=1S/C16H11ClFNO2/c1-19-13-6-5-9(7-10(13)8-14(19)20)16(21)11-3-2-4-12(17)15(11)18/h2-7H,8H2,1H3
InChIKeySZKLXJIZBWDNFX-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.23
Rot. Bonds2

About 5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one

5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one (PubChem CID 81265370) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one
PubChem CID81265370
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)c3cccc(Cl)c3F)ccc21
InChIInChI=1S/C16H11ClFNO2/c1-19-13-6-5-9(7-10(13)8-14(19)20)16(21)11-3-2-4-12(17)15(11)18/h2-7H,8H2,1H3
InChIKeySZKLXJIZBWDNFX-UHFFFAOYSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
CID 107981641
5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43339447
5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one
CID 8575723
5-(4-bromo-2-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43161338
5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
CID 43161351
5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43248282
(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
CID 64714669
6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096091
5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one
CID 43463242
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 107960022
5-[bromo-(2-chloro-6-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61097941

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one (CID 81265370) is 5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(=O)c3cccc(Cl)c3F)ccc21.
What is the InChIKey of 5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one?
The InChIKey is SZKLXJIZBWDNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c1-19-13-6-5-9(7-10(13)8-14(19)20)16(21)11-3-2-4-12(17)15(11)18/h2-7H,8H2,1H3.
What are the key properties of 5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one?
5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one has a molecular weight of 303.72 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81265370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).