3,4-dimethoxy-N-naphthalen-2-ylbenzamide

C19H17NO3 — CID 784729

IUPAC3,4-dimethoxy-N-naphthalen-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C19H17NO3/c1-22-17-10-8-15(12-18(17)23-2)19(21)20-16-9-7-13-5-3-4-6-14(13)11-16/h3-12H,1-2H3,(H,20,21)
InChIKeySKXUBCZIKHHMHG-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.11
Rot. Bonds4

About 3,4-dimethoxy-N-naphthalen-2-ylbenzamide

3,4-dimethoxy-N-naphthalen-2-ylbenzamide (PubChem CID 784729) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3,4-dimethoxy-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-naphthalen-2-ylbenzamide
PubChem CID784729
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name3,4-dimethoxy-N-naphthalen-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C19H17NO3/c1-22-17-10-8-15(12-18(17)23-2)19(21)20-16-9-7-13-5-3-4-6-14(13)11-16/h3-12H,1-2H3,(H,20,21)
InChIKeySKXUBCZIKHHMHG-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-naphthalen-2-ylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-naphthalen-2-ylbenzamide (CID 784729) is 3,4-dimethoxy-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-naphthalen-2-ylbenzamide is COc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-naphthalen-2-ylbenzamide?
The InChIKey is SKXUBCZIKHHMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-17-10-8-15(12-18(17)23-2)19(21)20-16-9-7-13-5-3-4-6-14(13)11-16/h3-12H,1-2H3,(H,20,21).
What are the key properties of 3,4-dimethoxy-N-naphthalen-2-ylbenzamide?
3,4-dimethoxy-N-naphthalen-2-ylbenzamide has a molecular weight of 307.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 784729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).