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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Related Compounds

2,2,2-trifluoro-N-((1S,2R)-2-((1-(4-fluorophenyl)-1H-indazol-5-yl)oxy)-2-(3-methoxyphenyl)-1-methylethyl)acetamide
CID 24825740
2,2,2-Trifluoro-N-[(1r,2s)-1-{[1-(4-Fluorophenyl)-1h-Indazol-5-Yl]oxy}-1-Phenylpropan-2-Yl]acetamide
CID 25013322
Benzyl-[2-(1H-indazol-4-yloxy)-ethyl]-amine
CID 9816808
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]-2,2-dimethyl-propanamide
CID 25011854
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-hydroxyphenyl)propan-2-yl]acetamide
CID 25012028
N-((1S,2R)-2-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-methyl-2-phenylethyl)cyclopropanecarboxamide
CID 25013321
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 25013490
N-((1R,2S)-1-(2,3-dihydrobenzofuran-6-yl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)propan-2-yl)-2,2-difluoropropanamide
CID 44515373
2,2-difluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-methyl-1-phenylbutan-2-yl]propanamide
CID 145965573
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-methyl-1-phenylbutan-2-yl]acetamide
CID 145976724
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]acetamide
CID 25014203
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]-3-methoxy-propanamide
CID 25014204

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).