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

C15H19ClN2O2 — CID 43493722

IUPAC6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCCNC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCO1
InChIInChI=1S/C15H19ClN2O2/c1-2-17-15(13-4-3-5-20-13)10-6-9-7-14(19)18-12(9)8-11(10)16/h6,8,13,15,17H,2-5,7H2,1H3,(H,18,19)
InChIKeyKXVANWXZUWLQRY-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.66
Rot. Bonds4

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

6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 43493722) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID43493722
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCCNC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCO1
InChIInChI=1S/C15H19ClN2O2/c1-2-17-15(13-4-3-5-20-13)10-6-9-7-14(19)18-12(9)8-11(10)16/h6,8,13,15,17H,2-5,7H2,1H3,(H,18,19)
InChIKeyKXVANWXZUWLQRY-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 63012879
5-[bromo(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 61096789
6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one
CID 79648069
6-chloro-5-[1-(ethylamino)pentyl]-1,3-dihydroindol-2-one
CID 43493705
6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 63013855
5-[bromo(oxan-3-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63015097
6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one
CID 79810168
6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082264
6-chloro-5-[cyclohexyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082859
6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one
CID 61084046
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457574
5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one
CID 63443114

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one (CID 43493722) is 6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one is CCNC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCO1.
What is the InChIKey of 6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is KXVANWXZUWLQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-2-17-15(13-4-3-5-20-13)10-6-9-7-14(19)18-12(9)8-11(10)16/h6,8,13,15,17H,2-5,7H2,1H3,(H,18,19).
What are the key properties of 6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one?
6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 294.78 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43493722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).