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

C19H19FN2O2 — CID 113085913

IUPACN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
SMILESCc1[nH]c2ccc(F)cc2c1CCNC(=O)COc1ccccc1
InChIInChI=1S/C19H19FN2O2/c1-13-16(17-11-14(20)7-8-18(17)22-13)9-10-21-19(23)12-24-15-5-3-2-4-6-15/h2-8,11,22H,9-10,12H2,1H3,(H,21,23)
InChIKeyNGXDIHJZUUFCSW-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.35
Rot. Bonds6

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

N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide (PubChem CID 113085913) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
PubChem CID113085913
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
SMILESCc1[nH]c2ccc(F)cc2c1CCNC(=O)COc1ccccc1
InChIInChI=1S/C19H19FN2O2/c1-13-16(17-11-14(20)7-8-18(17)22-13)9-10-21-19(23)12-24-15-5-3-2-4-6-15/h2-8,11,22H,9-10,12H2,1H3,(H,21,23)
InChIKeyNGXDIHJZUUFCSW-UHFFFAOYSA-N
XLogP3.35
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide
CID 113085879
2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317
1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-phenylthiourea
CID 43952983
N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide
CID 78852324
N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide
CID 2156420
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide
CID 91956047
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 110789127
N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 45497560

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide (CID 113085913) is N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide is Cc1[nH]c2ccc(F)cc2c1CCNC(=O)COc1ccccc1.
What is the InChIKey of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is NGXDIHJZUUFCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-16(17-11-14(20)7-8-18(17)22-13)9-10-21-19(23)12-24-15-5-3-2-4-6-15/h2-8,11,22H,9-10,12H2,1H3,(H,21,23).
What are the key properties of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide?
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 326.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113085913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).