2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide

C11H11ClN2O2 — CID 110611810

IUPAC2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
SMILESCONC(=O)Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H11ClN2O2/c1-16-14-11(15)4-7-6-13-10-3-2-8(12)5-9(7)10/h2-3,5-6,13H,4H2,1H3,(H,14,15)
InChIKeyRMSNYIXUIVBQKZ-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.04
Rot. Bonds3

About 2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide

2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide (PubChem CID 110611810) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
PubChem CID110611810
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
SMILESCONC(=O)Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H11ClN2O2/c1-16-14-11(15)4-7-6-13-10-3-2-8(12)5-9(7)10/h2-3,5-6,13H,4H2,1H3,(H,14,15)
InChIKeyRMSNYIXUIVBQKZ-UHFFFAOYSA-N
XLogP2.04
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730
2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58842077
2-(5-chloro-1H-indol-3-yl)acetate
CID 21122976
methyl 3-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate
CID 110424175
2-(5-chloro-1H-indol-3-yl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 110625376
ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate
CID 110428322
tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
CID 71299888
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
ethyl 4-[2-(5-chloro-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 110413453
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide (CID 110611810) is 2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide is CONC(=O)Cc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide?
The InChIKey is RMSNYIXUIVBQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-16-14-11(15)4-7-6-13-10-3-2-8(12)5-9(7)10/h2-3,5-6,13H,4H2,1H3,(H,14,15).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide?
2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide has a molecular weight of 238.67 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide is sourced from PubChem (CID 110611810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).