6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one

C13H15ClN2O2 — CID 106821342

IUPAC6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one
SMILESCOC1CC(Nc2cc3c(cc2Cl)NC(=O)C3)C1
InChIInChI=1S/C13H15ClN2O2/c1-18-9-4-8(5-9)15-12-2-7-3-13(17)16-11(7)6-10(12)14/h2,6,8-9,15H,3-5H2,1H3,(H,16,17)
InChIKeyAYCFKSDXUKGNDX-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.42
Rot. Bonds3

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

6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one (PubChem CID 106821342) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one
PubChem CID106821342
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one
SMILESCOC1CC(Nc2cc3c(cc2Cl)NC(=O)C3)C1
InChIInChI=1S/C13H15ClN2O2/c1-18-9-4-8(5-9)15-12-2-7-3-13(17)16-11(7)6-10(12)14/h2,6,8-9,15H,3-5H2,1H3,(H,16,17)
InChIKeyAYCFKSDXUKGNDX-UHFFFAOYSA-N
XLogP2.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-[(3,5-dimethylcyclohexyl)amino]-1,3-dihydroindol-2-one
CID 64751941
6-chloro-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,3-dihydroindol-2-one
CID 43691755
6-chloro-5-[(3-methylcyclopentyl)amino]-1,3-dihydroindol-2-one
CID 64502307
6-chloro-5-[(1-oxothian-4-yl)amino]-1,3-dihydroindol-2-one
CID 54981279
6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one
CID 65084091
6-chloro-5-[(1-ethylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one
CID 43691705
5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one
CID 79458648
6-chloro-5-(1-cyclopentylethylamino)-1,3-dihydroindol-2-one
CID 62633530
6-chloro-5-(propylamino)-1,3-dihydroindol-2-one
CID 43691797
6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 62655083
2,5-dichloro-N-(3-methoxycyclobutyl)aniline
CID 106821242
methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate
CID 115352612

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one (CID 106821342) is 6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one is COC1CC(Nc2cc3c(cc2Cl)NC(=O)C3)C1.
What is the InChIKey of 6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is AYCFKSDXUKGNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-18-9-4-8(5-9)15-12-2-7-3-13(17)16-11(7)6-10(12)14/h2,6,8-9,15H,3-5H2,1H3,(H,16,17).
What are the key properties of 6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one?
6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 266.73 g/mol, XLogP of 2.42, 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-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 106821342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).