N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide

C21H15ClFN3O2 — CID 86219883

IUPACN-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide
SMILESO=C(Nc1n[nH]c2ccc(OCc3ccccc3Cl)cc12)c1ccccc1F
InChIInChI=1S/C21H15ClFN3O2/c22-17-7-3-1-5-13(17)12-28-14-9-10-19-16(11-14)20(26-25-19)24-21(27)15-6-2-4-8-18(15)23/h1-11H,12H2,(H2,24,25,26,27)
InChIKeyOOPJYNZUFZVGAQ-UHFFFAOYSA-N
MW395.82 g/mol
LogP5.19
Rot. Bonds5

About N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide

N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide (PubChem CID 86219883) has the molecular formula C21H15ClFN3O2 and a molecular weight of 395.82 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide
PubChem CID86219883
Molecular FormulaC21H15ClFN3O2
Molecular Weight395.82 g/mol
Exact Mass395.08
IUPAC NameN-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide
SMILESO=C(Nc1n[nH]c2ccc(OCc3ccccc3Cl)cc12)c1ccccc1F
InChIInChI=1S/C21H15ClFN3O2/c22-17-7-3-1-5-13(17)12-28-14-9-10-19-16(11-14)20(26-25-19)24-21(27)15-6-2-4-8-18(15)23/h1-11H,12H2,(H2,24,25,26,27)
InChIKeyOOPJYNZUFZVGAQ-UHFFFAOYSA-N
XLogP5.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.82
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 26901785
N'-[2-[(2-chlorophenyl)methoxy]benzoyl]-1H-indazole-3-carbohydrazide
CID 27568166
N-[5-[(2,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylmethyl)benzamide
CID 58513770
(3,4-dichlorophenyl) 3-benzamido-1H-indazole-5-sulfonate
CID 22567407
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 60552718
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-[4-[(2-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
CID 5133908
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244124
4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 6462000
4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8813320
3-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 30155523
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate
CID 25235967

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide (CID 86219883) is N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide is O=C(Nc1n[nH]c2ccc(OCc3ccccc3Cl)cc12)c1ccccc1F.
What is the InChIKey of N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide?
The InChIKey is OOPJYNZUFZVGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2/c22-17-7-3-1-5-13(17)12-28-14-9-10-19-16(11-14)20(26-25-19)24-21(27)15-6-2-4-8-18(15)23/h1-11H,12H2,(H2,24,25,26,27).
What are the key properties of N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide?
N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide has a molecular weight of 395.82 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 86219883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).