[3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate

C16H19FN2O2 — CID 167499904

IUPAC[3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate
SMILESC=CCN(CF)CCc1c[nH]c2cccc(OC(C)=O)c12
InChIInChI=1S/C16H19FN2O2/c1-3-8-19(11-17)9-7-13-10-18-14-5-4-6-15(16(13)14)21-12(2)20/h3-6,10,18H,1,7-9,11H2,2H3
InChIKeyPWPDACJCALVOCD-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.05
Rot. Bonds7

About [3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate

[3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate (PubChem CID 167499904) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is [3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate.

Molecular Properties

Compound Name[3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate
PubChem CID167499904
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name[3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate
SMILESC=CCN(CF)CCc1c[nH]c2cccc(OC(C)=O)c12
InChIInChI=1S/C16H19FN2O2/c1-3-8-19(11-17)9-7-13-10-18-14-5-4-6-15(16(13)14)21-12(2)20/h3-6,10,18H,1,7-9,11H2,2H3
InChIKeyPWPDACJCALVOCD-UHFFFAOYSA-N
XLogP3.05
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-acetyloxy-1H-indol-3-yl)ethyl-dimethyl-prop-2-enylazanium iodide
CID 170646986
[3-[2-deuterio-2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate
CID 164700571
[3-[2-(diethylamino)ethyl]-1H-indol-4-yl] butanoate
CID 169222315
[3-[2-(dimethylamino)-2-oxoethyl]-1H-indol-4-yl] acetate
CID 166106979
[3-[1,2-dideuterio-2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate
CID 164780395
[3-[1,2,2-trideuterio-2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate
CID 164780401
6-[[3-[2-(diethylamino)ethyl]-1H-indol-4-yl]oxy]-6-oxohexanoic acid
CID 169222299
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 4,4-dimethylpentanoate;ethenol
CID 167476980
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
(E)-4-[[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl]oxy]-4-oxobut-2-enoic acid
CID 162510635
[3-[2-[[benzyl-[3-(dimethylamino)propyl]amino]-ethylamino]ethyl]-1H-indol-4-yl] acetate
CID 177084987

Frequently Asked Questions

What is the IUPAC name of [3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate?
The IUPAC name of [3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate (CID 167499904) is [3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate.
What is the SMILES notation for [3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate?
The canonical SMILES for [3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate is C=CCN(CF)CCc1c[nH]c2cccc(OC(C)=O)c12.
What is the InChIKey of [3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate?
The InChIKey is PWPDACJCALVOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-3-8-19(11-17)9-7-13-10-18-14-5-4-6-15(16(13)14)21-12(2)20/h3-6,10,18H,1,7-9,11H2,2H3.
What are the key properties of [3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate?
[3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate has a molecular weight of 290.34 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[fluoromethyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate is sourced from PubChem (CID 167499904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).