4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide

C20H21ClN2O2 — CID 108750586

IUPAC4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1)NCCn1ccc2ccccc21
InChIInChI=1S/C20H21ClN2O2/c21-17-7-9-18(10-8-17)25-15-3-6-20(24)22-12-14-23-13-11-16-4-1-2-5-19(16)23/h1-2,4-5,7-11,13H,3,6,12,14-15H2,(H,22,24)
InChIKeyPXZNQSPWRWUUNQ-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.27
Rot. Bonds8

About 4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide

4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide (PubChem CID 108750586) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide
PubChem CID108750586
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1)NCCn1ccc2ccccc21
InChIInChI=1S/C20H21ClN2O2/c21-17-7-9-18(10-8-17)25-15-3-6-20(24)22-12-14-23-13-11-16-4-1-2-5-19(16)23/h1-2,4-5,7-11,13H,3,6,12,14-15H2,(H,22,24)
InChIKeyPXZNQSPWRWUUNQ-UHFFFAOYSA-N
XLogP4.27
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.27
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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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide
CID 52715106
4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide
CID 55349212
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
CID 108750509
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide
CID 55649511
2-[2-(3-indol-1-ylpropanoylamino)ethoxy]propanoic acid
CID 110495262
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide
CID 108726376
N-[2-(diethylamino)ethyl]-3-indol-1-ylpropanamide
CID 84556794
(E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide
CID 108750525

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide (CID 108750586) is 4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide is O=C(CCCOc1ccc(Cl)cc1)NCCn1ccc2ccccc21.
What is the InChIKey of 4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide?
The InChIKey is PXZNQSPWRWUUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-17-7-9-18(10-8-17)25-15-3-6-20(24)22-12-14-23-13-11-16-4-1-2-5-19(16)23/h1-2,4-5,7-11,13H,3,6,12,14-15H2,(H,22,24).
What are the key properties of 4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide?
4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide has a molecular weight of 356.85 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide is sourced from PubChem (CID 108750586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).