3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide

C23H20FN3O3 — CID 146208872

IUPAC3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(CO)NC(=O)c2cccc(-c3ccc4n[nH]c(F)c4c3)c2)c1
InChIInChI=1S/C23H20FN3O3/c1-30-18-7-3-5-16(11-18)21(13-28)25-23(29)17-6-2-4-14(10-17)15-8-9-20-19(12-15)22(24)27-26-20/h2-12,21,28H,13H2,1H3,(H,25,29)(H,26,27)
InChIKeyWCYUWOYDOXQVSN-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.84
Rot. Bonds6

About 3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide

3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 146208872) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide
PubChem CID146208872
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(CO)NC(=O)c2cccc(-c3ccc4n[nH]c(F)c4c3)c2)c1
InChIInChI=1S/C23H20FN3O3/c1-30-18-7-3-5-16(11-18)21(13-28)25-23(29)17-6-2-4-14(10-17)15-8-9-20-19(12-15)22(24)27-26-20/h2-12,21,28H,13H2,1H3,(H,25,29)(H,26,27)
InChIKeyWCYUWOYDOXQVSN-UHFFFAOYSA-N
XLogP3.84
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[cis-4-(2-Phenoxyethyl)cyclohexyl]methyl}-1H-indazole-5-carboxamide
CID 44442113
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(4-methoxyphenyl)-1H-indazole-3-carboxamide
CID 89777950
N-(2-hydroxyethyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-indazol-4-yl]benzamide
CID 89782850
3-benzyl-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630344
N-((1H-Indazol-7-yl)methyl)-2-ethoxy-3'-fluoro-N-methyl-[1,1'-biphenyl]-4-carboxamide
CID 165385399
6-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]isoquinolin-1-one
CID 156014825
6-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]phthalazin-1-one
CID 156019268
N-(oxan-4-ylmethyl)-5-(3-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide
CID 168293017
N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide
CID 2594697
N-benzyl-6-hydroxy-3-[(3-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630311
N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 146208863
3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide
CID 22479726

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide (CID 146208872) is 3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(C(CO)NC(=O)c2cccc(-c3ccc4n[nH]c(F)c4c3)c2)c1.
What is the InChIKey of 3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is WCYUWOYDOXQVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-30-18-7-3-5-16(11-18)21(13-28)25-23(29)17-6-2-4-14(10-17)15-8-9-20-19(12-15)22(24)27-26-20/h2-12,21,28H,13H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide?
3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 405.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2H-indazol-5-yl)-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 146208872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).