6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one

C15H21ClN2O — CID 43487561

IUPAC6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one
SMILESCCCCCC(NC)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C15H21ClN2O/c1-3-4-5-6-13(17-2)11-7-10-8-15(19)18-14(10)9-12(11)16/h7,9,13,17H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyMXHPDUCSWQBDMQ-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.68
Rot. Bonds6

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

6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one (PubChem CID 43487561) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one
PubChem CID43487561
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one
SMILESCCCCCC(NC)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C15H21ClN2O/c1-3-4-5-6-13(17-2)11-7-10-8-15(19)18-14(10)9-12(11)16/h7,9,13,17H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyMXHPDUCSWQBDMQ-UHFFFAOYSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-[1-(ethylamino)pentyl]-1,3-dihydroindol-2-one
CID 43493705
6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one
CID 61083654
5-(1-bromononyl)-6-chloro-1,3-dihydroindol-2-one
CID 65428912
5-(1-bromoheptyl)-6-chloro-1,3-dihydroindol-2-one
CID 114753608
5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one
CID 63443114
6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one
CID 43691740
5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one
CID 114243983
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
6-chloro-5-[methylamino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43487569
6-chloro-5-(propylamino)-1,3-dihydroindol-2-one
CID 43691797
6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
CID 61083849
6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 80645043

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one (CID 43487561) is 6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one is CCCCCC(NC)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one?
The InChIKey is MXHPDUCSWQBDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-4-5-6-13(17-2)11-7-10-8-15(19)18-14(10)9-12(11)16/h7,9,13,17H,3-6,8H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one?
6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one has a molecular weight of 280.80 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43487561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).