2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide

C18H17FN2O — CID 113209373

IUPAC2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccccc1
InChIInChI=1S/C18H17FN2O/c1-12(13-5-3-2-4-6-13)21-18(22)9-14-11-20-17-10-15(19)7-8-16(14)17/h2-8,10-12,20H,9H2,1H3,(H,21,22)
InChIKeyRZDZTOIAKYJADV-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.73
Rot. Bonds4

About 2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide

2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide (PubChem CID 113209373) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
PubChem CID113209373
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccccc1
InChIInChI=1S/C18H17FN2O/c1-12(13-5-3-2-4-6-13)21-18(22)9-14-11-20-17-10-15(19)7-8-16(14)17/h2-8,10-12,20H,9H2,1H3,(H,21,22)
InChIKeyRZDZTOIAKYJADV-UHFFFAOYSA-N
XLogP3.73
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 172548012
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745
2-(1H-indol-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 40810685
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 119187887
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 78813976
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide (CID 113209373) is 2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccccc1.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is RZDZTOIAKYJADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12(13-5-3-2-4-6-13)21-18(22)9-14-11-20-17-10-15(19)7-8-16(14)17/h2-8,10-12,20H,9H2,1H3,(H,21,22).
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide?
2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 296.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 113209373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).