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

C23H20FN3O3 — CID 146208856

IUPAC2-fluoro-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-5-(1H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CO)NC(=O)c2cc(-c3ccc4[nH]ncc4c3)ccc2F)c1
InChIInChI=1S/C23H20FN3O3/c1-30-18-4-2-3-16(10-18)22(13-28)26-23(29)19-11-15(5-7-20(19)24)14-6-8-21-17(9-14)12-25-27-21/h2-12,22,28H,13H2,1H3,(H,25,27)(H,26,29)
InChIKeyLDNRNYZSQGXYFE-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.84
Rot. Bonds6

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

2-fluoro-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-5-(1H-indazol-5-yl)benzamide (PubChem CID 146208856) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-fluoro-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-5-(1H-indazol-5-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-5-(1H-indazol-5-yl)benzamide
PubChem CID146208856
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name2-fluoro-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-5-(1H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CO)NC(=O)c2cc(-c3ccc4[nH]ncc4c3)ccc2F)c1
InChIInChI=1S/C23H20FN3O3/c1-30-18-4-2-3-16(10-18)22(13-28)26-23(29)19-11-15(5-7-20(19)24)14-6-8-21-17(9-14)12-25-27-21/h2-12,22,28H,13H2,1H3,(H,25,27)(H,26,29)
InChIKeyLDNRNYZSQGXYFE-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-5-(1H-indazol-5-yl)benzamide?
The IUPAC name of 2-fluoro-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-5-(1H-indazol-5-yl)benzamide (CID 146208856) is 2-fluoro-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-5-(1H-indazol-5-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-5-(1H-indazol-5-yl)benzamide?
The canonical SMILES for 2-fluoro-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-5-(1H-indazol-5-yl)benzamide is COc1cccc(C(CO)NC(=O)c2cc(-c3ccc4[nH]ncc4c3)ccc2F)c1.
What is the InChIKey of 2-fluoro-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-5-(1H-indazol-5-yl)benzamide?
The InChIKey is LDNRNYZSQGXYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-30-18-4-2-3-16(10-18)22(13-28)26-23(29)19-11-15(5-7-20(19)24)14-6-8-21-17(9-14)12-25-27-21/h2-12,22,28H,13H2,1H3,(H,25,27)(H,26,29).
What are the key properties of 2-fluoro-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-5-(1H-indazol-5-yl)benzamide?
2-fluoro-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-5-(1H-indazol-5-yl)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 2-fluoro-N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-5-(1H-indazol-5-yl)benzamide is sourced from PubChem (CID 146208856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).