5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide

C24H22FN3O2 — CID 165385275

IUPAC5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)c(F)cc1-c1ccccc1
InChIInChI=1S/C24H22FN3O2/c1-3-30-22-13-20(21(25)12-19(22)16-8-5-4-6-9-16)24(29)28(2)15-18-11-7-10-17-14-26-27-23(17)18/h4-14H,3,15H2,1-2H3,(H,26,27)
InChIKeyJIPJWGPMBFTOLY-UHFFFAOYSA-N
MW403.46 g/mol
LogP5.04
Rot. Bonds6

About 5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide

5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide (PubChem CID 165385275) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide.

Molecular Properties

Compound Name5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide
PubChem CID165385275
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)c(F)cc1-c1ccccc1
InChIInChI=1S/C24H22FN3O2/c1-3-30-22-13-20(21(25)12-19(22)16-8-5-4-6-9-16)24(29)28(2)15-18-11-7-10-17-14-26-27-23(17)18/h4-14H,3,15H2,1-2H3,(H,26,27)
InChIKeyJIPJWGPMBFTOLY-UHFFFAOYSA-N
XLogP5.04
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethoxy-2-fluoro-N-[(5-hydroxy-4-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium-7-yl)methyl]-N-methyl-4-phenylbenzamide
CID 169119555
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide
CID 165385189
3-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385424
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(4-prop-1-ynylphenyl)benzamide
CID 165385234
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 165385158
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(1,3-thiazol-5-yl)benzamide
CID 165385443
2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide
CID 165385291
4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide
CID 165385267
2-fluoro-5-[4-[1H-indazol-7-ylmethyl(methyl)carbamoyl]-2-propoxyphenyl]-N-methylbenzamide
CID 165385378
6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide
CID 165385357
3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385394
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide?
The IUPAC name of 5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide (CID 165385275) is 5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide.
What is the SMILES notation for 5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide?
The canonical SMILES for 5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide is CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)c(F)cc1-c1ccccc1.
What is the InChIKey of 5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide?
The InChIKey is JIPJWGPMBFTOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-3-30-22-13-20(21(25)12-19(22)16-8-5-4-6-9-16)24(29)28(2)15-18-11-7-10-17-14-26-27-23(17)18/h4-14H,3,15H2,1-2H3,(H,26,27).
What are the key properties of 5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide?
5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide has a molecular weight of 403.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide is sourced from PubChem (CID 165385275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).