N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide

C23H20FN3O3 — CID 69070154

IUPACN-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
SMILESCOc1ccc(F)cc1-c1ccc2c(NC(=O)C(C)Oc3ccccc3)n[nH]c2c1
InChIInChI=1S/C23H20FN3O3/c1-14(30-17-6-4-3-5-7-17)23(28)25-22-18-10-8-15(12-20(18)26-27-22)19-13-16(24)9-11-21(19)29-2/h3-14H,1-2H3,(H2,25,26,27,28)
InChIKeyXMCUSIDXHMFHOK-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.78
Rot. Bonds6

About N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide

N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide (PubChem CID 69070154) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
PubChem CID69070154
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC NameN-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
SMILESCOc1ccc(F)cc1-c1ccc2c(NC(=O)C(C)Oc3ccccc3)n[nH]c2c1
InChIInChI=1S/C23H20FN3O3/c1-14(30-17-6-4-3-5-7-17)23(28)25-22-18-10-8-15(12-20(18)26-27-22)19-13-16(24)9-11-21(19)29-2/h3-14H,1-2H3,(H2,25,26,27,28)
InChIKeyXMCUSIDXHMFHOK-UHFFFAOYSA-N
XLogP4.78
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69061525
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69070303
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenylmethoxyacetamide
CID 69064500
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]furan-2-carboxamide
CID 69064766
2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69069464
N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69064975
N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide
CID 69065644
2-methoxy-N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]acetamide
CID 69062660
2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 69063393
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69060405
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide?
The IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide (CID 69070154) is N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide.
What is the SMILES notation for N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide?
The canonical SMILES for N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide is COc1ccc(F)cc1-c1ccc2c(NC(=O)C(C)Oc3ccccc3)n[nH]c2c1.
What is the InChIKey of N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide?
The InChIKey is XMCUSIDXHMFHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-14(30-17-6-4-3-5-7-17)23(28)25-22-18-10-8-15(12-20(18)26-27-22)19-13-16(24)9-11-21(19)29-2/h3-14H,1-2H3,(H2,25,26,27,28).
What are the key properties of N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide?
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide has a molecular weight of 405.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide is sourced from PubChem (CID 69070154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).