2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide

C12H14ClN3O2 — CID 43310852

IUPAC2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC1C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN3O2/c1-16(2)10(17)6-14-11-8-5-7(13)3-4-9(8)15-12(11)18/h3-5,11,14H,6H2,1-2H3,(H,15,18)
InChIKeyMTLWEIUKRBAHMA-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.01
Rot. Bonds3

About 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide

2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide (PubChem CID 43310852) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide
PubChem CID43310852
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC1C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN3O2/c1-16(2)10(17)6-14-11-8-5-7(13)3-4-9(8)15-12(11)18/h3-5,11,14H,6H2,1-2H3,(H,15,18)
InChIKeyMTLWEIUKRBAHMA-UHFFFAOYSA-N
XLogP1.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide (CID 43310852) is 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CNC1C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide?
The InChIKey is MTLWEIUKRBAHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-16(2)10(17)6-14-11-8-5-7(13)3-4-9(8)15-12(11)18/h3-5,11,14H,6H2,1-2H3,(H,15,18).
What are the key properties of 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide?
2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide has a molecular weight of 267.72 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 43310852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).