6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one

C15H15ClN2O2 — CID 43487538

IUPAC6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccc(C)o1)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C15H15ClN2O2/c1-8-3-4-13(20-8)15(17-2)10-5-9-6-14(19)18-12(9)7-11(10)16/h3-5,7,15,17H,6H2,1-2H3,(H,18,19)
InChIKeyGDMALQJLUVURQJ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.04
Rot. Bonds3

About 6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one

6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 43487538) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID43487538
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccc(C)o1)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C15H15ClN2O2/c1-8-3-4-13(20-8)15(17-2)10-5-9-6-14(19)18-12(9)7-11(10)16/h3-5,7,15,17H,6H2,1-2H3,(H,18,19)
InChIKeyGDMALQJLUVURQJ-UHFFFAOYSA-N
XLogP3.04
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-[methylamino-(2-methylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43487548
6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43487569
6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 80645043
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 61083783
6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43487561
5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
CID 43496622
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one
CID 79810168
5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63194843
6-chloro-5-methyl-1,3-dihydroindol-2-one;ethane
CID 144928829
6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
CID 61083849

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one (CID 43487538) is 6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one is CNC(c1ccc(C)o1)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is GDMALQJLUVURQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-8-3-4-13(20-8)15(17-2)10-5-9-6-14(19)18-12(9)7-11(10)16/h3-5,7,15,17H,6H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one?
6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 290.75 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43487538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).