3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one

C20H15Cl2N3O — CID 163533795

IUPAC3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one
SMILESO=C1/C(=N\c2ccc(Cl)c(Cl)c2)C2=CCCC=C2N1Cc1ccccn1
InChIInChI=1S/C20H15Cl2N3O/c21-16-9-8-13(11-17(16)22)24-19-15-6-1-2-7-18(15)25(20(19)26)12-14-5-3-4-10-23-14/h3-11H,1-2,12H2/b24-19-
InChIKeyDVFKSTUADVRVAP-CLCOLTQESA-N
MW384.27 g/mol
LogP5.11
Rot. Bonds3

About 3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one

3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one (PubChem CID 163533795) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one
PubChem CID163533795
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC Name3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one
SMILESO=C1/C(=N\c2ccc(Cl)c(Cl)c2)C2=CCCC=C2N1Cc1ccccn1
InChIInChI=1S/C20H15Cl2N3O/c21-16-9-8-13(11-17(16)22)24-19-15-6-1-2-7-18(15)25(20(19)26)12-14-5-3-4-10-23-14/h3-11H,1-2,12H2/b24-19-
InChIKeyDVFKSTUADVRVAP-CLCOLTQESA-N
XLogP5.11
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 10452413
3-(3,4-dichlorophenyl)imino-1-[(3,5-dimethyl-1,2-oxazol-2-ium-4-yl)methyl]indol-2-one
CID 142957182
1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413023
6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61356418
N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dioxo-2-(pyridin-2-ylmethyl)isoindole-5-carboxamide
CID 163301099
(4E)-4-[(3,4-dichlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione
CID 108645318
1-(pyridin-2-ylmethyl)-3H-indol-2-one
CID 90893291
N-(3,4-dichlorophenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23904895
1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 46556545
5,6-dichloro-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
CID 78834850
bis(5-amino-2-(pyridin-2-ylmethyl)isoindole-1,3-dione);copper(1+);perchlorate
CID 139130566
3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one
CID 142957195

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one?
The IUPAC name of 3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one (CID 163533795) is 3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one is O=C1/C(=N\c2ccc(Cl)c(Cl)c2)C2=CCCC=C2N1Cc1ccccn1.
What is the InChIKey of 3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one?
The InChIKey is DVFKSTUADVRVAP-CLCOLTQESA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c21-16-9-8-13(11-17(16)22)24-19-15-6-1-2-7-18(15)25(20(19)26)12-14-5-3-4-10-23-14/h3-11H,1-2,12H2/b24-19-.
What are the key properties of 3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one?
3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one has a molecular weight of 384.27 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)imino-1-(pyridin-2-ylmethyl)-5,6-dihydroindol-2-one is sourced from PubChem (CID 163533795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).