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

C14H12Cl2N2OS — CID 80645043

IUPAC6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1cc2c(cc1Cl)NC(=O)C2)c1sccc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c1-17-13(14-9(15)2-3-20-14)8-4-7-5-12(19)18-11(7)6-10(8)16/h2-4,6,13,17H,5H2,1H3,(H,18,19)
InChIKeyVSEBHVIXFIZCSE-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.86
Rot. Bonds3

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

6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one (PubChem CID 80645043) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is 6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one
PubChem CID80645043
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1cc2c(cc1Cl)NC(=O)C2)c1sccc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c1-17-13(14-9(15)2-3-20-14)8-4-7-5-12(19)18-11(7)6-10(8)16/h2-4,6,13,17H,5H2,1H3,(H,18,19)
InChIKeyVSEBHVIXFIZCSE-UHFFFAOYSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43487569
6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43487538
5-[(3-bromothiophen-2-yl)-chloromethyl]-6-chloro-1,3-dihydroindol-2-one
CID 63797669
5-[bromo-(3-methoxythiophen-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 81124248
6-chloro-5-[methylamino-(2-methylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43487548
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one
CID 79810168
6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43487561
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010658
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 80644609
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-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one (CID 80645043) is 6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one is CNC(c1cc2c(cc1Cl)NC(=O)C2)c1sccc1Cl.
What is the InChIKey of 6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
The InChIKey is VSEBHVIXFIZCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c1-17-13(14-9(15)2-3-20-14)8-4-7-5-12(19)18-11(7)6-10(8)16/h2-4,6,13,17H,5H2,1H3,(H,18,19).
What are the key properties of 6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one has a molecular weight of 327.24 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 80645043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).