6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one

C17H25ClN2O — CID 43691740

IUPAC6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCCCCCCCC(C)Nc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C17H25ClN2O/c1-3-4-5-6-7-8-12(2)19-16-9-13-10-17(21)20-15(13)11-14(16)18/h9,11-12,19H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyXVTSRYJHJMGAIZ-UHFFFAOYSA-N
MW308.85 g/mol
LogP5.00
Rot. Bonds8

About 6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one

6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 43691740) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID43691740
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCCCCCCCC(C)Nc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C17H25ClN2O/c1-3-4-5-6-7-8-12(2)19-16-9-13-10-17(21)20-15(13)11-14(16)18/h9,11-12,19H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyXVTSRYJHJMGAIZ-UHFFFAOYSA-N
XLogP5.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 55.00
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-7-(heptan-2-ylamino)-4H-1,4-benzoxazin-3-one
CID 43692838
5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
CID 62196263
6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43487561
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-(1-chlorohexyl)-1,3-dihydroindol-2-one
CID 61083654
6-chloro-5-(propylamino)-1,3-dihydroindol-2-one
CID 43691797
6-chloro-5-[1-(ethylamino)pentyl]-1,3-dihydroindol-2-one
CID 43493705
methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate
CID 115352612
6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43691672
6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723883

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one (CID 43691740) is 6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one is CCCCCCCC(C)Nc1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is XVTSRYJHJMGAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-4-5-6-7-8-12(2)19-16-9-13-10-17(21)20-15(13)11-14(16)18/h9,11-12,19H,3-8,10H2,1-2H3,(H,20,21).
What are the key properties of 6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one?
6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 308.85 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43691740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).