N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide

C22H18FN3O3 — CID 69064975

IUPACN-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
SMILESCOc1ccc(OC)c(-c2ccc3c(NC(=O)c4cccc(F)c4)n[nH]c3c2)c1
InChIInChI=1S/C22H18FN3O3/c1-28-16-7-9-20(29-2)18(12-16)13-6-8-17-19(11-13)25-26-21(17)24-22(27)14-4-3-5-15(23)10-14/h3-12H,1-2H3,(H2,24,25,26,27)
InChIKeyXKFJQIPSZYIXMD-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.64
Rot. Bonds5

About N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide

N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide (PubChem CID 69064975) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
PubChem CID69064975
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
SMILESCOc1ccc(OC)c(-c2ccc3c(NC(=O)c4cccc(F)c4)n[nH]c3c2)c1
InChIInChI=1S/C22H18FN3O3/c1-28-16-7-9-20(29-2)18(12-16)13-6-8-17-19(11-13)25-26-21(17)24-22(27)14-4-3-5-15(23)10-14/h3-12H,1-2H3,(H2,24,25,26,27)
InChIKeyXKFJQIPSZYIXMD-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-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69060405
3-(2-amino-1-chloro-2-oxoethyl)-N-[6-(2-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 175103815
2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69069464
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69067364
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]furan-2-carboxamide
CID 69064766
3-(2-amino-1-bromo-2-oxoethyl)-N-[6-(2-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 175096939
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69060568
N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-3-fluorobenzamide
CID 42685787
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69070154
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69069713

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide (CID 69064975) is N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide is COc1ccc(OC)c(-c2ccc3c(NC(=O)c4cccc(F)c4)n[nH]c3c2)c1.
What is the InChIKey of N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide?
The InChIKey is XKFJQIPSZYIXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-28-16-7-9-20(29-2)18(12-16)13-6-8-17-19(11-13)25-26-21(17)24-22(27)14-4-3-5-15(23)10-14/h3-12H,1-2H3,(H2,24,25,26,27).
What are the key properties of N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide?
N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide 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-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 69064975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).