2,3-dimethoxy-N-naphthalen-1-ylbenzamide

C19H17NO3 — CID 912419

IUPAC2,3-dimethoxy-N-naphthalen-1-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2cccc3ccccc23)c1OC
InChIInChI=1S/C19H17NO3/c1-22-17-12-6-10-15(18(17)23-2)19(21)20-16-11-5-8-13-7-3-4-9-14(13)16/h3-12H,1-2H3,(H,20,21)
InChIKeyBNTHENGWSHEUKY-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.11
Rot. Bonds4

About 2,3-dimethoxy-N-naphthalen-1-ylbenzamide

2,3-dimethoxy-N-naphthalen-1-ylbenzamide (PubChem CID 912419) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2,3-dimethoxy-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-naphthalen-1-ylbenzamide
PubChem CID912419
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2,3-dimethoxy-N-naphthalen-1-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2cccc3ccccc23)c1OC
InChIInChI=1S/C19H17NO3/c1-22-17-12-6-10-15(18(17)23-2)19(21)20-16-11-5-8-13-7-3-4-9-14(13)16/h3-12H,1-2H3,(H,20,21)
InChIKeyBNTHENGWSHEUKY-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 2,3-dimethoxy-N-naphthalen-1-ylbenzamide?
The IUPAC name of 2,3-dimethoxy-N-naphthalen-1-ylbenzamide (CID 912419) is 2,3-dimethoxy-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 2,3-dimethoxy-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 2,3-dimethoxy-N-naphthalen-1-ylbenzamide is COc1cccc(C(=O)Nc2cccc3ccccc23)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-naphthalen-1-ylbenzamide?
The InChIKey is BNTHENGWSHEUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-17-12-6-10-15(18(17)23-2)19(21)20-16-11-5-8-13-7-3-4-9-14(13)16/h3-12H,1-2H3,(H,20,21).
What are the key properties of 2,3-dimethoxy-N-naphthalen-1-ylbenzamide?
2,3-dimethoxy-N-naphthalen-1-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 2,3-dimethoxy-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 912419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).