tert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate

C20H22FN3O3 — CID 127046804

IUPACtert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1cccc2c1cnn2-c1ccccc1F
InChIInChI=1S/C20H22FN3O3/c1-20(2,3)27-19(25)22-11-12-26-18-10-6-9-16-14(18)13-23-24(16)17-8-5-4-7-15(17)21/h4-10,13H,11-12H2,1-3H3,(H,22,25)
InChIKeyAANHZDIBAXQTLM-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.07
Rot. Bonds5

About tert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate

tert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate (PubChem CID 127046804) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate
PubChem CID127046804
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Nametert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1cccc2c1cnn2-c1ccccc1F
InChIInChI=1S/C20H22FN3O3/c1-20(2,3)27-19(25)22-11-12-26-18-10-6-9-16-14(18)13-23-24(16)17-8-5-4-7-15(17)21/h4-10,13H,11-12H2,1-3H3,(H,22,25)
InChIKeyAANHZDIBAXQTLM-UHFFFAOYSA-N
XLogP4.07
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate (CID 127046804) is tert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate is CC(C)(C)OC(=O)NCCOc1cccc2c1cnn2-c1ccccc1F.
What is the InChIKey of tert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate?
The InChIKey is AANHZDIBAXQTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-20(2,3)27-19(25)22-11-12-26-18-10-6-9-16-14(18)13-23-24(16)17-8-5-4-7-15(17)21/h4-10,13H,11-12H2,1-3H3,(H,22,25).
What are the key properties of tert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate?
tert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate has a molecular weight of 371.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2-fluorophenyl)indazol-4-yl]oxyethyl]carbamate is sourced from PubChem (CID 127046804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).