3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide

C24H21F2N3O2 — CID 165385405

IUPAC3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(F)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C24H21F2N3O2/c1-3-31-22-12-16(7-9-19(22)15-5-4-6-18(25)11-15)24(30)29(2)14-17-8-10-21(26)20-13-27-28-23(17)20/h4-13H,3,14H2,1-2H3,(H,27,28)
InChIKeyZPMHHRVFCARLAF-UHFFFAOYSA-N
MW421.45 g/mol
LogP5.18
Rot. Bonds6

About 3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide

3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide (PubChem CID 165385405) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide
PubChem CID165385405
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(F)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C24H21F2N3O2/c1-3-31-22-12-16(7-9-19(22)15-5-4-6-18(25)11-15)24(30)29(2)14-17-8-10-21(26)20-13-27-28-23(17)20/h4-13H,3,14H2,1-2H3,(H,27,28)
InChIKeyZPMHHRVFCARLAF-UHFFFAOYSA-N
XLogP5.18
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
The IUPAC name of 3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide (CID 165385405) is 3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for 3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2ccc(F)c3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of 3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
The InChIKey is ZPMHHRVFCARLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c1-3-31-22-12-16(7-9-19(22)15-5-4-6-18(25)11-15)24(30)29(2)14-17-8-10-21(26)20-13-27-28-23(17)20/h4-13H,3,14H2,1-2H3,(H,27,28).
What are the key properties of 3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide has a molecular weight of 421.45 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 165385405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).