2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide

C13H16ClN3O2 — CID 43254924

IUPAC2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)C(N)c2cc(Cl)ccc21
InChIInChI=1S/C13H16ClN3O2/c1-7(2)16-11(18)6-17-10-4-3-8(14)5-9(10)12(15)13(17)19/h3-5,7,12H,6,15H2,1-2H3,(H,16,18)
InChIKeyXKOOFDILACLPJY-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.21
Rot. Bonds3

About 2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide

2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide (PubChem CID 43254924) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide
PubChem CID43254924
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)C(N)c2cc(Cl)ccc21
InChIInChI=1S/C13H16ClN3O2/c1-7(2)16-11(18)6-17-10-4-3-8(14)5-9(10)12(15)13(17)19/h3-5,7,12H,6,15H2,1-2H3,(H,16,18)
InChIKeyXKOOFDILACLPJY-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide (CID 43254924) is 2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1C(=O)C(N)c2cc(Cl)ccc21.
What is the InChIKey of 2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is XKOOFDILACLPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-7(2)16-11(18)6-17-10-4-3-8(14)5-9(10)12(15)13(17)19/h3-5,7,12H,6,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide?
2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 281.74 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 43254924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).