N-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride

C16H21BrClN3O3 — CID 53301940

IUPACN-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride
SMILESCC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(Br)cc21.[Cl-].[H+]
InChIInChI=1S/C16H20BrN3O3.ClH/c1-11(21)18-15-13-10-12(17)2-3-14(13)20(16(15)22)5-4-19-6-8-23-9-7-19;/h2-3,10,15H,4-9H2,1H3,(H,18,21);1H
InChIKeyUPPVUPVMESYBQL-UHFFFAOYSA-N
MW418.72 g/mol
LogP-1.58
Rot. Bonds4

About N-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride

N-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride (PubChem CID 53301940) has the molecular formula C16H21BrClN3O3 and a molecular weight of 418.72 g/mol. Its IUPAC name is N-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride.

Molecular Properties

Compound NameN-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride
PubChem CID53301940
Molecular FormulaC16H21BrClN3O3
Molecular Weight418.72 g/mol
Exact Mass417.05
IUPAC NameN-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride
SMILESCC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(Br)cc21.[Cl-].[H+]
InChIInChI=1S/C16H20BrN3O3.ClH/c1-11(21)18-15-13-10-12(17)2-3-14(13)20(16(15)22)5-4-19-6-8-23-9-7-19;/h2-3,10,15H,4-9H2,1H3,(H,18,21);1H
InChIKeyUPPVUPVMESYBQL-UHFFFAOYSA-N
XLogP-1.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.72
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride?
The IUPAC name of N-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride (CID 53301940) is N-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride.
What is the SMILES notation for N-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride?
The canonical SMILES for N-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride is CC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(Br)cc21.[Cl-].[H+].
What is the InChIKey of N-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride?
The InChIKey is UPPVUPVMESYBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3.ClH/c1-11(21)18-15-13-10-12(17)2-3-14(13)20(16(15)22)5-4-19-6-8-23-9-7-19;/h2-3,10,15H,4-9H2,1H3,(H,18,21);1H.
What are the key properties of N-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride?
N-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride has a molecular weight of 418.72 g/mol, XLogP of -1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride is sourced from PubChem (CID 53301940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).