N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide

C19H19FN2O2 — CID 18170635

IUPACN-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCOc1ccccc1F
InChIInChI=1S/C19H19FN2O2/c20-16-6-2-4-8-18(16)24-12-11-21-19(23)10-9-14-13-22-17-7-3-1-5-15(14)17/h1-8,13,22H,9-12H2,(H,21,23)
InChIKeyJASPTDJVLPNFDS-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.43
Rot. Bonds7

About N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide

N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 18170635) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID18170635
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCOc1ccccc1F
InChIInChI=1S/C19H19FN2O2/c20-16-6-2-4-8-18(16)24-12-11-21-19(23)10-9-14-13-22-17-7-3-1-5-15(14)17/h1-8,13,22H,9-12H2,(H,21,23)
InChIKeyJASPTDJVLPNFDS-UHFFFAOYSA-N
XLogP3.43
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide
CID 16574428
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-(2-ethoxyethyl)-3-(1H-indol-3-yl)propanamide
CID 43591658
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
CID 588709
N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
CID 86069599
3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 30284044
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
N-[2-(2-fluorophenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 3107151

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide (CID 18170635) is N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is JASPTDJVLPNFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-16-6-2-4-8-18(16)24-12-11-21-19(23)10-9-14-13-22-17-7-3-1-5-15(14)17/h1-8,13,22H,9-12H2,(H,21,23).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide?
N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 326.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 18170635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).