N-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide

C21H21ClN2O3 — CID 2228979

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide
SMILESCCC(=O)c1cn(CC(=O)NCCOc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C21H21ClN2O3/c1-2-20(25)18-13-24(19-6-4-3-5-17(18)19)14-21(26)23-11-12-27-16-9-7-15(22)8-10-16/h3-10,13H,2,11-12,14H2,1H3,(H,23,26)
InChIKeyANJSAOXYRDDIEM-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.08
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide

N-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide (PubChem CID 2228979) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide
PubChem CID2228979
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide
SMILESCCC(=O)c1cn(CC(=O)NCCOc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C21H21ClN2O3/c1-2-20(25)18-13-24(19-6-4-3-5-17(18)19)14-21(26)23-11-12-27-16-9-7-15(22)8-10-16/h3-10,13H,2,11-12,14H2,1H3,(H,23,26)
InChIKeyANJSAOXYRDDIEM-UHFFFAOYSA-N
XLogP4.08
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.08
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 N-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide (CID 2228979) is N-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide is CCC(=O)c1cn(CC(=O)NCCOc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide?
The InChIKey is ANJSAOXYRDDIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-2-20(25)18-13-24(19-6-4-3-5-17(18)19)14-21(26)23-11-12-27-16-9-7-15(22)8-10-16/h3-10,13H,2,11-12,14H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide has a molecular weight of 384.86 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-(3-propanoylindol-1-yl)acetamide is sourced from PubChem (CID 2228979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).