2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide

C19H20ClN3O2 — CID 141490343

IUPAC2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide
SMILESCCCCOn1cc(CC(=O)Nc2ccncc2Cl)c2ccccc21
InChIInChI=1S/C19H20ClN3O2/c1-2-3-10-25-23-13-14(15-6-4-5-7-18(15)23)11-19(24)22-17-8-9-21-12-16(17)20/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,22,24)
InChIKeyJPPDARPGFXISJD-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.10
Rot. Bonds7

About 2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide

2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide (PubChem CID 141490343) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide
PubChem CID141490343
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide
SMILESCCCCOn1cc(CC(=O)Nc2ccncc2Cl)c2ccccc21
InChIInChI=1S/C19H20ClN3O2/c1-2-3-10-25-23-13-14(15-6-4-5-7-18(15)23)11-19(24)22-17-8-9-21-12-16(17)20/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,22,24)
InChIKeyJPPDARPGFXISJD-UHFFFAOYSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide?
The IUPAC name of 2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide (CID 141490343) is 2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide.
What is the SMILES notation for 2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide?
The canonical SMILES for 2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide is CCCCOn1cc(CC(=O)Nc2ccncc2Cl)c2ccccc21.
What is the InChIKey of 2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide?
The InChIKey is JPPDARPGFXISJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-2-3-10-25-23-13-14(15-6-4-5-7-18(15)23)11-19(24)22-17-8-9-21-12-16(17)20/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,22,24).
What are the key properties of 2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide?
2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide has a molecular weight of 357.84 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridinyl)acetamide is sourced from PubChem (CID 141490343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).