5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one

C15H15ClN2O2 — CID 43684964

IUPAC5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one
SMILESCc1ccc(C(C)NC2C(=O)Nc3ccc(Cl)cc32)o1
InChIInChI=1S/C15H15ClN2O2/c1-8-3-6-13(20-8)9(2)17-14-11-7-10(16)4-5-12(11)18-15(14)19/h3-7,9,14,17H,1-2H3,(H,18,19)
InChIKeyXCQDQWPVCCPECM-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.59
Rot. Bonds3

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

5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one (PubChem CID 43684964) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one
PubChem CID43684964
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one
SMILESCc1ccc(C(C)NC2C(=O)Nc3ccc(Cl)cc32)o1
InChIInChI=1S/C15H15ClN2O2/c1-8-3-6-13(20-8)9(2)17-14-11-7-10(16)4-5-12(11)18-15(14)19/h3-7,9,14,17H,1-2H3,(H,18,19)
InChIKeyXCQDQWPVCCPECM-UHFFFAOYSA-N
XLogP3.59
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one (CID 43684964) is 5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one is Cc1ccc(C(C)NC2C(=O)Nc3ccc(Cl)cc32)o1.
What is the InChIKey of 5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one?
The InChIKey is XCQDQWPVCCPECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-8-3-6-13(20-8)9(2)17-14-11-7-10(16)4-5-12(11)18-15(14)19/h3-7,9,14,17H,1-2H3,(H,18,19).
What are the key properties of 5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one?
5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one has a molecular weight of 290.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43684964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).