N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide

C21H23FN2O2 — CID 43060850

IUPACN-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c1-16-14-17-6-2-3-7-20(17)24(16)15-21(25)23-12-4-5-13-26-19-10-8-18(22)9-11-19/h2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,23,25)
InChIKeyJETXQLAFNAXJRH-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.06
Rot. Bonds8

About N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide

N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide (PubChem CID 43060850) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide
PubChem CID43060850
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c1-16-14-17-6-2-3-7-20(17)24(16)15-21(25)23-12-4-5-13-26-19-10-8-18(22)9-11-19/h2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,23,25)
InChIKeyJETXQLAFNAXJRH-UHFFFAOYSA-N
XLogP4.06
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 26586028
N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide
CID 107299993
2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51238620
N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 36907060
2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799713
2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide
CID 52659609
N-[4-(4-fluorophenoxy)butyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55760014
2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60981974
2-(2,5-dimethylphenyl)sulfanyl-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 33108068
2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 42572463
2-(2-methylindol-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 9093001
N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide
CID 78830111

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide (CID 43060850) is N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide is Cc1cc2ccccc2n1CC(=O)NCCCCOc1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide?
The InChIKey is JETXQLAFNAXJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-16-14-17-6-2-3-7-20(17)24(16)15-21(25)23-12-4-5-13-26-19-10-8-18(22)9-11-19/h2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,23,25).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide?
N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide has a molecular weight of 354.43 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide is sourced from PubChem (CID 43060850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).