N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide

C20H21ClN2O2 — CID 588709

IUPACN-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c21-16-8-10-17(11-9-16)25-13-12-22-20(24)7-3-4-15-14-23-19-6-2-1-5-18(15)19/h1-2,5-6,8-11,14,23H,3-4,7,12-13H2,(H,22,24)
InChIKeyOPRPJNCCLOJPQR-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.34
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide

N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 588709) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
PubChem CID588709
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c21-16-8-10-17(11-9-16)25-13-12-22-20(24)7-3-4-15-14-23-19-6-2-1-5-18(15)19/h1-2,5-6,8-11,14,23H,3-4,7,12-13H2,(H,22,24)
InChIKeyOPRPJNCCLOJPQR-UHFFFAOYSA-N
XLogP4.34
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide
CID 16574428
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993925
N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide
CID 18170635
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide (CID 588709) is N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is OPRPJNCCLOJPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-16-8-10-17(11-9-16)25-13-12-22-20(24)7-3-4-15-14-23-19-6-2-1-5-18(15)19/h1-2,5-6,8-11,14,23H,3-4,7,12-13H2,(H,22,24).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide?
N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 356.85 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 588709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).