N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide

C22H18FN3O2 — CID 22260912

IUPACN-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc3[nH]nc(-c4cccc(F)c4)c3c2)c1
InChIInChI=1S/C22H18FN3O2/c1-28-18-7-3-5-16(12-18)22(27)24-13-14-8-9-20-19(10-14)21(26-25-20)15-4-2-6-17(23)11-15/h2-12H,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyUBFKYESJNKHYQU-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.31
Rot. Bonds5

About N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide

N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide (PubChem CID 22260912) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide
PubChem CID22260912
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc3[nH]nc(-c4cccc(F)c4)c3c2)c1
InChIInChI=1S/C22H18FN3O2/c1-28-18-7-3-5-16(12-18)22(27)24-13-14-8-9-20-19(10-14)21(26-25-20)15-4-2-6-17(23)11-15/h2-12H,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyUBFKYESJNKHYQU-UHFFFAOYSA-N
XLogP4.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 22260682
2-[3-(3-fluorophenyl)-1H-indazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22260918
3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide
CID 175236372
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]pyridine-3-carboxamide
CID 22260966
3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide
CID 22261045
N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 46091676
N-[(3-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858952
N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide
CID 53021354
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide (CID 22260912) is N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2ccc3[nH]nc(-c4cccc(F)c4)c3c2)c1.
What is the InChIKey of N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide?
The InChIKey is UBFKYESJNKHYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-28-18-7-3-5-16(12-18)22(27)24-13-14-8-9-20-19(10-14)21(26-25-20)15-4-2-6-17(23)11-15/h2-12H,13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide?
N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide has a molecular weight of 375.40 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 22260912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).