N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide

C19H19FN2O2 — CID 110731483

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H19FN2O2/c20-15-6-7-18-17(12-15)14(13-22-18)8-10-21-19(23)9-11-24-16-4-2-1-3-5-16/h1-7,12-13,22H,8-11H2,(H,21,23)
InChIKeyMBTIHRUVSCPQQZ-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.43
Rot. Bonds7

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide (PubChem CID 110731483) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide
PubChem CID110731483
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H19FN2O2/c20-15-6-7-18-17(12-15)14(13-22-18)8-10-21-19(23)9-11-24-16-4-2-1-3-5-16/h1-7,12-13,22H,8-11H2,(H,21,23)
InChIKeyMBTIHRUVSCPQQZ-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

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Related Compounds

N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993925
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 49409514
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
CID 113085349
N-benzyl-3-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111972457
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide
CID 71706857

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide (CID 110731483) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide?
The InChIKey is MBTIHRUVSCPQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-15-6-7-18-17(12-15)14(13-22-18)8-10-21-19(23)9-11-24-16-4-2-1-3-5-16/h1-7,12-13,22H,8-11H2,(H,21,23).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide 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-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 110731483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).