N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide

C22H25FN2O — CID 4973985

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C22H25FN2O/c1-15(2)17-6-3-16(4-7-17)5-10-22(26)24-12-11-18-14-25-21-9-8-19(23)13-20(18)21/h3-4,6-9,13-15,25H,5,10-12H2,1-2H3,(H,24,26)
InChIKeyOLWHISRCIUGRNL-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.72
Rot. Bonds7

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 4973985) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide
PubChem CID4973985
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C22H25FN2O/c1-15(2)17-6-3-16(4-7-17)5-10-22(26)24-12-11-18-14-25-21-9-8-19(23)13-20(18)21/h3-4,6-9,13-15,25H,5,10-12H2,1-2H3,(H,24,26)
InChIKeyOLWHISRCIUGRNL-UHFFFAOYSA-N
XLogP4.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 49409514
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 4997493
3-[1-[(3-fluorophenyl)methyl]pyridin-1-ium-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide bromide
CID 122193241
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide
CID 110731483
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111788208
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929
N-benzyl-3-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111972457

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide (CID 4973985) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(CCC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is OLWHISRCIUGRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-15(2)17-6-3-16(4-7-17)5-10-22(26)24-12-11-18-14-25-21-9-8-19(23)13-20(18)21/h3-4,6-9,13-15,25H,5,10-12H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 352.45 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 4973985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).