6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one

C14H19ClN2O2 — CID 79349040

IUPAC6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OC(C)CC)c(Cl)cc21
InChIInChI=1S/C14H19ClN2O2/c1-4-8(3)19-12-7-11-9(6-10(12)15)13(16-5-2)14(18)17-11/h6-8,13,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyCMRXCRZQJZRKCS-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.12
Rot. Bonds5

About 6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one

6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one (PubChem CID 79349040) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one
PubChem CID79349040
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OC(C)CC)c(Cl)cc21
InChIInChI=1S/C14H19ClN2O2/c1-4-8(3)19-12-7-11-9(6-10(12)15)13(16-5-2)14(18)17-11/h6-8,13,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyCMRXCRZQJZRKCS-UHFFFAOYSA-N
XLogP3.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one (CID 79349040) is 6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(OC(C)CC)c(Cl)cc21.
What is the InChIKey of 6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one?
The InChIKey is CMRXCRZQJZRKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-4-8(3)19-12-7-11-9(6-10(12)15)13(16-5-2)14(18)17-11/h6-8,13,16H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one?
6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one has a molecular weight of 282.77 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).