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

C16H21ClN2O2 — CID 63012879

IUPAC6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
SMILESCCNC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCOC1
InChIInChI=1S/C16H21ClN2O2/c1-2-18-16(10-4-3-5-21-9-10)12-6-11-7-15(20)19-14(11)8-13(12)17/h6,8,10,16,18H,2-5,7,9H2,1H3,(H,19,20)
InChIKeyYETWSKSVHWFMFL-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.91
Rot. Bonds4

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

6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 63012879) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID63012879
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
SMILESCCNC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCOC1
InChIInChI=1S/C16H21ClN2O2/c1-2-18-16(10-4-3-5-21-9-10)12-6-11-7-15(20)19-14(11)8-13(12)17/h6,8,10,16,18H,2-5,7,9H2,1H3,(H,19,20)
InChIKeyYETWSKSVHWFMFL-UHFFFAOYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43493722
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
N-[(4-chloro-2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107138788
6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082264
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-[cyclohexyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082859
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034
N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107139269
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one (CID 63012879) is 6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one is CCNC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCOC1.
What is the InChIKey of 6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is YETWSKSVHWFMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-2-18-16(10-4-3-5-21-9-10)12-6-11-7-15(20)19-14(11)8-13(12)17/h6,8,10,16,18H,2-5,7,9H2,1H3,(H,19,20).
What are the key properties of 6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one?
6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 308.81 g/mol, XLogP of 2.91, 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(oxan-3-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 63012879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).