3-(4-chlorophenyl)imino-1H-indol-2-one

C14H9ClN2O — CID 135411931

IUPAC3-(4-chlorophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H,16,17,18)
InChIKeyCPOOLXVTWFEFNO-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.41
Rot. Bonds1

About 3-(4-chlorophenyl)imino-1H-indol-2-one

3-(4-chlorophenyl)imino-1H-indol-2-one (PubChem CID 135411931) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)imino-1H-indol-2-one
PubChem CID135411931
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name3-(4-chlorophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H,16,17,18)
InChIKeyCPOOLXVTWFEFNO-UHFFFAOYSA-N
XLogP3.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Chlorooxindole
CID 152801
6-Chloro-1,3-dihydroindol-2-one
CID 736344
3-((3,4-Dimethylphenyl)imino)-1,3-dihydro-2H-indol-2-one
CID 135406017
3-(4-Methylanilino)indol-2-one
CID 135412515
2-Indolinone, 3-(phenylimino)-
CID 135442567
3-{4-[4-(4-Chlorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11589069
7-Chloro-3-(3-methylanilino)indol-2-one
CID 135444078
3-(4-chlorophenyl)-2(1H)-quinoxalinone
CID 2815692
(3Z)-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one
CID 135411930
(3Z)-3-(2-chlorobenzylidene)-1,3-dihydro-2H-indol-2-one
CID 727521
(E)-3-(2,3-dichlorophenylimino)indolin-2-one
CID 135559217
3-(Biphenyl-2-ylamino)-2h-indol-2-one
CID 135478723

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)imino-1H-indol-2-one?
The IUPAC name of 3-(4-chlorophenyl)imino-1H-indol-2-one (CID 135411931) is 3-(4-chlorophenyl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)imino-1H-indol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)imino-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)imino-1H-indol-2-one?
The InChIKey is CPOOLXVTWFEFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H,16,17,18).
What are the key properties of 3-(4-chlorophenyl)imino-1H-indol-2-one?
3-(4-chlorophenyl)imino-1H-indol-2-one has a molecular weight of 256.69 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135411931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).