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

C24H21F2N3O2 — CID 177377825

IUPAC4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccc(F)c(F)c1
InChIInChI=1S/C24H21F2N3O2/c1-3-31-22-12-16(7-9-19(22)15-8-10-20(25)21(26)11-15)24(30)29(2)14-18-6-4-5-17-13-27-28-23(17)18/h4-13H,3,14H2,1-2H3,(H,27,28)
InChIKeyZCXSTHSXSXKKNY-UHFFFAOYSA-N
MW421.45 g/mol
LogP5.18
Rot. Bonds6

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

4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide (PubChem CID 177377825) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
PubChem CID177377825
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccc(F)c(F)c1
InChIInChI=1S/C24H21F2N3O2/c1-3-31-22-12-16(7-9-19(22)15-8-10-20(25)21(26)11-15)24(30)29(2)14-18-6-4-5-17-13-27-28-23(17)18/h4-13H,3,14H2,1-2H3,(H,27,28)
InChIKeyZCXSTHSXSXKKNY-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 4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The IUPAC name of 4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide (CID 177377825) is 4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The InChIKey is ZCXSTHSXSXKKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c1-3-31-22-12-16(7-9-19(22)15-8-10-20(25)21(26)11-15)24(30)29(2)14-18-6-4-5-17-13-27-28-23(17)18/h4-13H,3,14H2,1-2H3,(H,27,28).
What are the key properties of 4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-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 4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 177377825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).