5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one

C16H13ClFNO — CID 63210169

IUPAC5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCc1cc(C(Cl)c2ccc3c(c2)CC(=O)N3)ccc1F
InChIInChI=1S/C16H13ClFNO/c1-9-6-10(2-4-13(9)18)16(17)11-3-5-14-12(7-11)8-15(20)19-14/h2-7,16H,8H2,1H3,(H,19,20)
InChIKeyBKIBVLGDRPTIGC-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.96
Rot. Bonds2

About 5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one

5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 63210169) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID63210169
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCc1cc(C(Cl)c2ccc3c(c2)CC(=O)N3)ccc1F
InChIInChI=1S/C16H13ClFNO/c1-9-6-10(2-4-13(9)18)16(17)11-3-5-14-12(7-11)8-15(20)19-14/h2-7,16H,8H2,1H3,(H,19,20)
InChIKeyBKIBVLGDRPTIGC-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 61084977
5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 61083583
5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 61083783
5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 82796773
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 107991147
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484803
5-[(2-bromo-5-methylphenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 81111417
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
6-[(3-bromo-4-fluorophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107955914
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one (CID 63210169) is 5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one is Cc1cc(C(Cl)c2ccc3c(c2)CC(=O)N3)ccc1F.
What is the InChIKey of 5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is BKIBVLGDRPTIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-9-6-10(2-4-13(9)18)16(17)11-3-5-14-12(7-11)8-15(20)19-14/h2-7,16H,8H2,1H3,(H,19,20).
What are the key properties of 5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one?
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 289.74 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 63210169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).