3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one

C20H15Cl2N3O — CID 142957195

IUPAC3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one
SMILESO=C1/C(=N\c2cc(Cl)cc(Cl)c2)c2ccccc2N1CC1=CCCN=C1
InChIInChI=1S/C20H15Cl2N3O/c21-14-8-15(22)10-16(9-14)24-19-17-5-1-2-6-18(17)25(20(19)26)12-13-4-3-7-23-11-13/h1-2,4-6,8-11H,3,7,12H2/b24-19-
InChIKeyZIIWXXRPIYMSPV-CLCOLTQESA-N
MW384.27 g/mol
LogP4.86
Rot. Bonds3

About 3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one

3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one (PubChem CID 142957195) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one
PubChem CID142957195
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC Name3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one
SMILESO=C1/C(=N\c2cc(Cl)cc(Cl)c2)c2ccccc2N1CC1=CCCN=C1
InChIInChI=1S/C20H15Cl2N3O/c21-14-8-15(22)10-16(9-14)24-19-17-5-1-2-6-18(17)25(20(19)26)12-13-4-3-7-23-11-13/h1-2,4-6,8-11H,3,7,12H2/b24-19-
InChIKeyZIIWXXRPIYMSPV-CLCOLTQESA-N
XLogP4.86
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one?
The IUPAC name of 3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one (CID 142957195) is 3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one.
What is the SMILES notation for 3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one?
The canonical SMILES for 3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one is O=C1/C(=N\c2cc(Cl)cc(Cl)c2)c2ccccc2N1CC1=CCCN=C1.
What is the InChIKey of 3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one?
The InChIKey is ZIIWXXRPIYMSPV-CLCOLTQESA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c21-14-8-15(22)10-16(9-14)24-19-17-5-1-2-6-18(17)25(20(19)26)12-13-4-3-7-23-11-13/h1-2,4-6,8-11H,3,7,12H2/b24-19-.
What are the key properties of 3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one?
3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one has a molecular weight of 384.27 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)imino-1-(2,3-dihydropyridin-5-ylmethyl)indol-2-one is sourced from PubChem (CID 142957195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).