(2-carbamoylphenyl) N-naphthalen-1-ylcarbamate

C₁₈H₁₄N₂O₃ — CID 4121359

About (2-carbamoylphenyl) N-naphthalen-1-ylcarbamate

(2-carbamoylphenyl) N-naphthalen-1-ylcarbamate (PubChem CID 4121359) has the molecular formula C₁₈H₁₄N₂O₃ and a molecular weight of 306.32 g/mol. Its IUPAC name is (2-carbamoylphenyl) N-naphthalen-1-ylcarbamate.

Molecular Properties

• Compound Name: (2-carbamoylphenyl) N-naphthalen-1-ylcarbamate
• PubChem CID: 4121359
• Molecular Formula: C₁₈H₁₄N₂O₃
• Molecular Weight: 306.32 g/mol
• Exact Mass: 306.10
• IUPAC Name: (2-carbamoylphenyl) N-naphthalen-1-ylcarbamate
• SMILES: NC(=O)c1ccccc1OC(=O)Nc1cccc2ccccc12
• InChI: InChI=1S/C18H14N2O3/c19-17(21)14-9-3-4-11-16(14)23-18(22)20-15-10-5-7-12-6-1-2-8-13(12)15/h1-11H,(H2,19,21)(H,20,22)
• InChIKey: MEXJPADWZOGFPW-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 81.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.32
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl) N-naphthalen-1-ylcarbamate?

The IUPAC name of (2-carbamoylphenyl) N-naphthalen-1-ylcarbamate (CID 4121359) is (2-carbamoylphenyl) N-naphthalen-1-ylcarbamate.

What is the SMILES notation for (2-carbamoylphenyl) N-naphthalen-1-ylcarbamate?

The canonical SMILES for (2-carbamoylphenyl) N-naphthalen-1-ylcarbamate is NC(=O)c1ccccc1OC(=O)Nc1cccc2ccccc12.

What is the InChIKey of (2-carbamoylphenyl) N-naphthalen-1-ylcarbamate?

The InChIKey is MEXJPADWZOGFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c19-17(21)14-9-3-4-11-16(14)23-18(22)20-15-10-5-7-12-6-1-2-8-13(12)15/h1-11H,(H2,19,21)(H,20,22).

What are the key properties of (2-carbamoylphenyl) N-naphthalen-1-ylcarbamate?

(2-carbamoylphenyl) N-naphthalen-1-ylcarbamate has a molecular weight of 306.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2-carbamoylphenyl) N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 4121359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4121359 — identifiers, structure, computed properties (public domain)

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