N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide

C22H18FN3O3 — CID 69063264

IUPACN-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c3cc(-c4cccc(F)c4)ccc23)c(OC)c1
InChIInChI=1S/C22H18FN3O3/c1-28-16-7-9-18(20(12-16)29-2)22(27)24-21-17-8-6-14(11-19(17)25-26-21)13-4-3-5-15(23)10-13/h3-12H,1-2H3,(H2,24,25,26,27)
InChIKeyDLYHZNHPQLAXQZ-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.64
Rot. Bonds5

About N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide

N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide (PubChem CID 69063264) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
PubChem CID69063264
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c3cc(-c4cccc(F)c4)ccc23)c(OC)c1
InChIInChI=1S/C22H18FN3O3/c1-28-16-7-9-18(20(12-16)29-2)22(27)24-21-17-8-6-14(11-19(17)25-26-21)13-4-3-5-15(23)10-13/h3-12H,1-2H3,(H2,24,25,26,27)
InChIKeyDLYHZNHPQLAXQZ-UHFFFAOYSA-N
XLogP4.64
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69060568
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69060405
N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69064975
N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
CID 69060718
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69067364
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69061525
2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 69063393
N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide
CID 69069520
2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide
CID 69062836
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065277
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]furan-2-carboxamide
CID 69064766

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide (CID 69063264) is N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2n[nH]c3cc(-c4cccc(F)c4)ccc23)c(OC)c1.
What is the InChIKey of N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide?
The InChIKey is DLYHZNHPQLAXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-28-16-7-9-18(20(12-16)29-2)22(27)24-21-17-8-6-14(11-19(17)25-26-21)13-4-3-5-15(23)10-13/h3-12H,1-2H3,(H2,24,25,26,27).
What are the key properties of N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide?
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide has a molecular weight of 391.40 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 69063264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).