N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide

C19H19FN2O2 — CID 87039835

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide
SMILESCOc1ccc(C(C)NC(=O)Cn2ccc3ccccc32)cc1F
InChIInChI=1S/C19H19FN2O2/c1-13(15-7-8-18(24-2)16(20)11-15)21-19(23)12-22-10-9-14-5-3-4-6-17(14)22/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyZCCOKGLECGIRLH-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.67
Rot. Bonds5

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide (PubChem CID 87039835) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide
PubChem CID87039835
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide
SMILESCOc1ccc(C(C)NC(=O)Cn2ccc3ccccc32)cc1F
InChIInChI=1S/C19H19FN2O2/c1-13(15-7-8-18(24-2)16(20)11-15)21-19(23)12-22-10-9-14-5-3-4-6-17(14)22/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyZCCOKGLECGIRLH-UHFFFAOYSA-N
XLogP3.67
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxyindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 39331953
2-(7-methoxyindol-1-yl)-N-(1-phenylethyl)acetamide
CID 42653944
2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599158
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 17406382
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122569948

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide (CID 87039835) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide is COc1ccc(C(C)NC(=O)Cn2ccc3ccccc32)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide?
The InChIKey is ZCCOKGLECGIRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13(15-7-8-18(24-2)16(20)11-15)21-19(23)12-22-10-9-14-5-3-4-6-17(14)22/h3-11,13H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide has a molecular weight of 326.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide is sourced from PubChem (CID 87039835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).