2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide

C20H19NO4 — CID 837977

IUPAC2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cccc3ccccc23)cc1OC
InChIInChI=1S/C20H19NO4/c1-23-17-12-19(25-3)18(24-2)11-15(17)20(22)21-16-10-6-8-13-7-4-5-9-14(13)16/h4-12H,1-3H3,(H,21,22)
InChIKeyJILNHEMBSLEZDV-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.12
Rot. Bonds5

About 2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide

2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide (PubChem CID 837977) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide
PubChem CID837977
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cccc3ccccc23)cc1OC
InChIInChI=1S/C20H19NO4/c1-23-17-12-19(25-3)18(24-2)11-15(17)20(22)21-16-10-6-8-13-7-4-5-9-14(13)16/h4-12H,1-3H3,(H,21,22)
InChIKeyJILNHEMBSLEZDV-UHFFFAOYSA-N
XLogP4.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide?
The IUPAC name of 2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide (CID 837977) is 2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide is COc1cc(OC)c(C(=O)Nc2cccc3ccccc23)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide?
The InChIKey is JILNHEMBSLEZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-17-12-19(25-3)18(24-2)11-15(17)20(22)21-16-10-6-8-13-7-4-5-9-14(13)16/h4-12H,1-3H3,(H,21,22).
What are the key properties of 2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide?
2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide has a molecular weight of 337.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 837977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).