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

C25H24FN3O2 — CID 165385176

IUPAC3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C25H24FN3O2/c1-4-31-23-13-18(10-11-21(23)17-6-5-7-20(26)12-17)25(30)29(3)15-19-9-8-16(2)22-14-27-28-24(19)22/h5-14H,4,15H2,1-3H3,(H,27,28)
InChIKeyWLTMWEURODVVMW-UHFFFAOYSA-N
MW417.48 g/mol
LogP5.35
Rot. Bonds6

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

3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide (PubChem CID 165385176) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide
PubChem CID165385176
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C25H24FN3O2/c1-4-31-23-13-18(10-11-21(23)17-6-5-7-20(26)12-17)25(30)29(3)15-19-9-8-16(2)22-14-27-28-24(19)22/h5-14H,4,15H2,1-3H3,(H,27,28)
InChIKeyWLTMWEURODVVMW-UHFFFAOYSA-N
XLogP5.35
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide?
The IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide (CID 165385176) is 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide.
What is the SMILES notation for 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide?
The canonical SMILES for 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide is CCOc1cc(C(=O)N(C)Cc2ccc(C)c3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide?
The InChIKey is WLTMWEURODVVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-4-31-23-13-18(10-11-21(23)17-6-5-7-20(26)12-17)25(30)29(3)15-19-9-8-16(2)22-14-27-28-24(19)22/h5-14H,4,15H2,1-3H3,(H,27,28).
What are the key properties of 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide?
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide has a molecular weight of 417.48 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide is sourced from PubChem (CID 165385176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).