N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide

C22H18FN3O2 — CID 55972822

IUPACN-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide
SMILESO=C(NC(COc1ccccc1F)c1ccccc1)c1cccc2cn[nH]c12
InChIInChI=1S/C22H18FN3O2/c23-18-11-4-5-12-20(18)28-14-19(15-7-2-1-3-8-15)25-22(27)17-10-6-9-16-13-24-26-21(16)17/h1-13,19H,14H2,(H,24,26)(H,25,27)
InChIKeyGAGKLILGPWORPD-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.25
Rot. Bonds6

About N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide

N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide (PubChem CID 55972822) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide
PubChem CID55972822
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide
SMILESO=C(NC(COc1ccccc1F)c1ccccc1)c1cccc2cn[nH]c12
InChIInChI=1S/C22H18FN3O2/c23-18-11-4-5-12-20(18)28-14-19(15-7-2-1-3-8-15)25-22(27)17-10-6-9-16-13-24-26-21(16)17/h1-13,19H,14H2,(H,24,26)(H,25,27)
InChIKeyGAGKLILGPWORPD-UHFFFAOYSA-N
XLogP4.25
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid
CID 75526368
2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid
CID 75516569
N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide
CID 166189674
N-[2-(2-fluorophenoxy)-1-phenylethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55798587
2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 146083123
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55799758
3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride
CID 119735720
methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 94612751
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 119735715
2-[[2-(2-fluorophenoxy)-1-phenylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119181692
N-[2-(2-fluorophenoxy)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119735718
6-cyclopropyl-N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55799779

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide (CID 55972822) is N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide is O=C(NC(COc1ccccc1F)c1ccccc1)c1cccc2cn[nH]c12.
What is the InChIKey of N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide?
The InChIKey is GAGKLILGPWORPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-18-11-4-5-12-20(18)28-14-19(15-7-2-1-3-8-15)25-22(27)17-10-6-9-16-13-24-26-21(16)17/h1-13,19H,14H2,(H,24,26)(H,25,27).
What are the key properties of N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide?
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 55972822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).