5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one

C15H11Cl3N2O — CID 43457576

IUPAC5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(c1ccc(Cl)c(Cl)c1)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C15H11Cl3N2O/c16-10-2-1-7(4-12(10)18)15(19)9-3-8-5-14(21)20-13(8)6-11(9)17/h1-4,6,15H,5,19H2,(H,20,21)
InChIKeyDRZKAFKWPHEKCA-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.19
Rot. Bonds2

About 5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one

5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 43457576) has the molecular formula C15H11Cl3N2O and a molecular weight of 341.63 g/mol. Its IUPAC name is 5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID43457576
Molecular FormulaC15H11Cl3N2O
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(c1ccc(Cl)c(Cl)c1)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C15H11Cl3N2O/c16-10-2-1-7(4-12(10)18)15(19)9-3-8-5-14(21)20-13(8)6-11(9)17/h1-4,6,15H,5,19H2,(H,20,21)
InChIKeyDRZKAFKWPHEKCA-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63194843
5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457597
5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 79212497
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457610
6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43487569
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457574
5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457581
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
5-[bromo-(4-bromo-2-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63442972

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (CID 43457576) is 5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is NC(c1ccc(Cl)c(Cl)c1)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is DRZKAFKWPHEKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O/c16-10-2-1-7(4-12(10)18)15(19)9-3-8-5-14(21)20-13(8)6-11(9)17/h1-4,6,15H,5,19H2,(H,20,21).
What are the key properties of 5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 341.63 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43457576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).