2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide

C19H18ClFN2O2 — CID 9120019

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(F)cc1Cl)NCCCn1ccc2ccccc21
InChIInChI=1S/C19H18ClFN2O2/c20-16-12-15(21)6-7-18(16)25-13-19(24)22-9-3-10-23-11-8-14-4-1-2-5-17(14)23/h1-2,4-8,11-12H,3,9-10,13H2,(H,22,24)
InChIKeyHNEXBVMEUXATTI-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.02
Rot. Bonds7

About 2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide

2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide (PubChem CID 9120019) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide
PubChem CID9120019
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(F)cc1Cl)NCCCn1ccc2ccccc21
InChIInChI=1S/C19H18ClFN2O2/c20-16-12-15(21)6-7-18(16)25-13-19(24)22-9-3-10-23-11-8-14-4-1-2-5-17(14)23/h1-2,4-8,11-12H,3,9-10,13H2,(H,22,24)
InChIKeyHNEXBVMEUXATTI-UHFFFAOYSA-N
XLogP4.02
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide (CID 9120019) is 2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide is O=C(COc1ccc(F)cc1Cl)NCCCn1ccc2ccccc21.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide?
The InChIKey is HNEXBVMEUXATTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c20-16-12-15(21)6-7-18(16)25-13-19(24)22-9-3-10-23-11-8-14-4-1-2-5-17(14)23/h1-2,4-8,11-12H,3,9-10,13H2,(H,22,24).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide?
2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide has a molecular weight of 360.82 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(3-indol-1-ylpropyl)acetamide is sourced from PubChem (CID 9120019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).