5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one

C16H14ClNO — CID 61083581

IUPAC5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)Cc3ccccc3)ccc2N1
InChIInChI=1S/C16H14ClNO/c17-14(8-11-4-2-1-3-5-11)12-6-7-15-13(9-12)10-16(19)18-15/h1-7,9,14H,8,10H2,(H,18,19)
InChIKeyBUKIIBZKEQFZSE-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.70
Rot. Bonds3

About 5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one

5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one (PubChem CID 61083581) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
PubChem CID61083581
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)Cc3ccccc3)ccc2N1
InChIInChI=1S/C16H14ClNO/c17-14(8-11-4-2-1-3-5-11)12-6-7-15-13(9-12)10-16(19)18-15/h1-7,9,14H,8,10H2,(H,18,19)
InChIKeyBUKIIBZKEQFZSE-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.70
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-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
CID 61086410
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one
CID 114458659
5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one
CID 61084776
6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083968
5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one
CID 61086610
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
5-[1-bromo-2-(4-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 61097737
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
CID 61088892
5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 62387864
5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one
CID 61097734

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one (CID 61083581) is 5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Cl)Cc3ccccc3)ccc2N1.
What is the InChIKey of 5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one?
The InChIKey is BUKIIBZKEQFZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-14(8-11-4-2-1-3-5-11)12-6-7-15-13(9-12)10-16(19)18-15/h1-7,9,14H,8,10H2,(H,18,19).
What are the key properties of 5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one?
5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one has a molecular weight of 271.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 61083581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).