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

C24H22FN3O2 — CID 165385362

IUPAC3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccc(F)cc1
InChIInChI=1S/C24H22FN3O2/c1-3-30-22-13-17(9-12-21(22)16-7-10-20(25)11-8-16)24(29)28(2)15-19-6-4-5-18-14-26-27-23(18)19/h4-14H,3,15H2,1-2H3,(H,26,27)
InChIKeyNNGJZIUJJPCTIP-UHFFFAOYSA-N
MW403.46 g/mol
LogP5.04
Rot. Bonds6

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

3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide (PubChem CID 165385362) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
PubChem CID165385362
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccc(F)cc1
InChIInChI=1S/C24H22FN3O2/c1-3-30-22-13-17(9-12-21(22)16-7-10-20(25)11-8-16)24(29)28(2)15-19-6-4-5-18-14-26-27-23(18)19/h4-14H,3,15H2,1-2H3,(H,26,27)
InChIKeyNNGJZIUJJPCTIP-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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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The IUPAC name of 3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide (CID 165385362) is 3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccc(F)cc1.
What is the InChIKey of 3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The InChIKey is NNGJZIUJJPCTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-3-30-22-13-17(9-12-21(22)16-7-10-20(25)11-8-16)24(29)28(2)15-19-6-4-5-18-14-26-27-23(18)19/h4-14H,3,15H2,1-2H3,(H,26,27).
What are the key properties of 3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide 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 3-ethoxy-4-(4-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 165385362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).