4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide

C25H24FN3O2 — CID 165385415

IUPAC4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide
SMILESCCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C25H24FN3O2/c1-3-12-31-23-14-18(10-11-22(23)17-6-5-9-21(26)13-17)25(30)29(2)16-20-8-4-7-19-15-27-28-24(19)20/h4-11,13-15H,3,12,16H2,1-2H3,(H,27,28)
InChIKeyLBPOBTDRAZSXLC-UHFFFAOYSA-N
MW417.48 g/mol
LogP5.43
Rot. Bonds7

About 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide

4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide (PubChem CID 165385415) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide
PubChem CID165385415
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide
SMILESCCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C25H24FN3O2/c1-3-12-31-23-14-18(10-11-22(23)17-6-5-9-21(26)13-17)25(30)29(2)16-20-8-4-7-19-15-27-28-24(19)20/h4-11,13-15H,3,12,16H2,1-2H3,(H,27,28)
InChIKeyLBPOBTDRAZSXLC-UHFFFAOYSA-N
XLogP5.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide?
The IUPAC name of 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide (CID 165385415) is 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide is CCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide?
The InChIKey is LBPOBTDRAZSXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-3-12-31-23-14-18(10-11-22(23)17-6-5-9-21(26)13-17)25(30)29(2)16-20-8-4-7-19-15-27-28-24(19)20/h4-11,13-15H,3,12,16H2,1-2H3,(H,27,28).
What are the key properties of 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide?
4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide has a molecular weight of 417.48 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide is sourced from PubChem (CID 165385415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).