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

C16H14Cl2N2O — CID 63194843

IUPAC5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESCc1ccc(C(N)c2cc3c(cc2Cl)NC(=O)C3)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-8-2-3-9(5-12(8)17)16(19)11-4-10-6-15(21)20-14(10)7-13(11)18/h2-5,7,16H,6,19H2,1H3,(H,20,21)
InChIKeyJVCKVBXTFDMDLE-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.84
Rot. Bonds2

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

5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 63194843) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID63194843
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESCc1ccc(C(N)c2cc3c(cc2Cl)NC(=O)C3)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-8-2-3-9(5-12(8)17)16(19)11-4-10-6-15(21)20-14(10)7-13(11)18/h2-5,7,16H,6,19H2,1H3,(H,20,21)
InChIKeyJVCKVBXTFDMDLE-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457576
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
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
6-chloro-5-methyl-1,3-dihydroindol-2-one;ethane
CID 144928829
5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457610
5-[amino-(2-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 81477151
5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 107981813
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43487569
6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 81480901

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (CID 63194843) is 5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is Cc1ccc(C(N)c2cc3c(cc2Cl)NC(=O)C3)cc1Cl.
What is the InChIKey of 5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is JVCKVBXTFDMDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-8-2-3-9(5-12(8)17)16(19)11-4-10-6-15(21)20-14(10)7-13(11)18/h2-5,7,16H,6,19H2,1H3,(H,20,21).
What are the key properties of 5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 321.21 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 63194843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).