4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide

C24H22FN3O3 — CID 177377826

IUPAC4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OCCO)c1
InChIInChI=1S/C24H22FN3O3/c1-28(15-19-6-2-5-18-14-26-27-23(18)19)24(30)17-8-9-21(22(13-17)31-11-10-29)16-4-3-7-20(25)12-16/h2-9,12-14,29H,10-11,15H2,1H3,(H,26,27)
InChIKeyUOVCAKXTQSHUCD-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.01
Rot. Bonds7

About 4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide

4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide (PubChem CID 177377826) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
PubChem CID177377826
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Name4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OCCO)c1
InChIInChI=1S/C24H22FN3O3/c1-28(15-19-6-2-5-18-14-26-27-23(18)19)24(30)17-8-9-21(22(13-17)31-11-10-29)16-4-3-7-20(25)12-16/h2-9,12-14,29H,10-11,15H2,1H3,(H,26,27)
InChIKeyUOVCAKXTQSHUCD-UHFFFAOYSA-N
XLogP4.01
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The IUPAC name of 4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide (CID 177377826) is 4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide is CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OCCO)c1.
What is the InChIKey of 4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The InChIKey is UOVCAKXTQSHUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-28(15-19-6-2-5-18-14-26-27-23(18)19)24(30)17-8-9-21(22(13-17)31-11-10-29)16-4-3-7-20(25)12-16/h2-9,12-14,29H,10-11,15H2,1H3,(H,26,27).
What are the key properties of 4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide has a molecular weight of 419.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-(2-hydroxyethoxy)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 177377826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).