3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid

C16H20FN3O4 — CID 172894834

IUPAC3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3(F)CNC3)c2c1.O=CO
InChIInChI=1S/C15H18FN3O2.CH2O2/c1-21-11-2-3-13-12(6-11)10(7-19-13)4-5-18-14(20)15(16)8-17-9-15;2-1-3/h2-3,6-7,17,19H,4-5,8-9H2,1H3,(H,18,20);1H,(H,2,3)
InChIKeyGQFIGQRQNUJZNQ-UHFFFAOYSA-N
MW337.35 g/mol
LogP0.85
Rot. Bonds5

About 3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid

3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid (PubChem CID 172894834) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid.

Molecular Properties

Compound Name3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid
PubChem CID172894834
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3(F)CNC3)c2c1.O=CO
InChIInChI=1S/C15H18FN3O2.CH2O2/c1-21-11-2-3-13-12(6-11)10(7-19-13)4-5-18-14(20)15(16)8-17-9-15;2-1-3/h2-3,6-7,17,19H,4-5,8-9H2,1H3,(H,18,20);1H,(H,2,3)
InChIKeyGQFIGQRQNUJZNQ-UHFFFAOYSA-N
XLogP0.85
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 17171258
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 71692234
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
3-(4-hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide
CID 20979893
[(Z)-3-chlorobut-2-enyl] N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 45109027
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 71926324
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid?
The IUPAC name of 3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid (CID 172894834) is 3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid.
What is the SMILES notation for 3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid?
The canonical SMILES for 3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid is COc1ccc2[nH]cc(CCNC(=O)C3(F)CNC3)c2c1.O=CO.
What is the InChIKey of 3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid?
The InChIKey is GQFIGQRQNUJZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2.CH2O2/c1-21-11-2-3-13-12(6-11)10(7-19-13)4-5-18-14(20)15(16)8-17-9-15;2-1-3/h2-3,6-7,17,19H,4-5,8-9H2,1H3,(H,18,20);1H,(H,2,3).
What are the key properties of 3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid?
3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid has a molecular weight of 337.35 g/mol, XLogP of 0.85, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid is sourced from PubChem (CID 172894834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).