2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide

C12H13ClN2O — CID 582669

IUPAC2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CCl)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H13ClN2O/c13-7-12(16)14-6-5-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,16)
InChIKeyVUOXPQXFKCXXFF-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.07
Rot. Bonds4

About 2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 582669) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID582669
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CCl)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H13ClN2O/c13-7-12(16)14-6-5-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,16)
InChIKeyVUOXPQXFKCXXFF-UHFFFAOYSA-N
XLogP2.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 582669) is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(CCl)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is VUOXPQXFKCXXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-7-12(16)14-6-5-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,16).
What are the key properties of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 236.70 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 582669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).