ethyl N-(4-bromonaphthalen-2-yl)carbamate

C13H12BrNO2 — CID 11630721

IUPACethyl N-(4-bromonaphthalen-2-yl)carbamate
SMILESCCOC(=O)Nc1cc(Br)c2ccccc2c1
InChIInChI=1S/C13H12BrNO2/c1-2-17-13(16)15-10-7-9-5-3-4-6-11(9)12(14)8-10/h3-8H,2H2,1H3,(H,15,16)
InChIKeyVRWJJXYAXOXADL-UHFFFAOYSA-N
MW294.15 g/mol
LogP4.17
Rot. Bonds2

About ethyl N-(4-bromonaphthalen-2-yl)carbamate

ethyl N-(4-bromonaphthalen-2-yl)carbamate (PubChem CID 11630721) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is ethyl N-(4-bromonaphthalen-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-bromonaphthalen-2-yl)carbamate
PubChem CID11630721
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Nameethyl N-(4-bromonaphthalen-2-yl)carbamate
SMILESCCOC(=O)Nc1cc(Br)c2ccccc2c1
InChIInChI=1S/C13H12BrNO2/c1-2-17-13(16)15-10-7-9-5-3-4-6-11(9)12(14)8-10/h3-8H,2H2,1H3,(H,15,16)
InChIKeyVRWJJXYAXOXADL-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-bromonaphthalen-2-yl)carbamate?
The IUPAC name of ethyl N-(4-bromonaphthalen-2-yl)carbamate (CID 11630721) is ethyl N-(4-bromonaphthalen-2-yl)carbamate.
What is the SMILES notation for ethyl N-(4-bromonaphthalen-2-yl)carbamate?
The canonical SMILES for ethyl N-(4-bromonaphthalen-2-yl)carbamate is CCOC(=O)Nc1cc(Br)c2ccccc2c1.
What is the InChIKey of ethyl N-(4-bromonaphthalen-2-yl)carbamate?
The InChIKey is VRWJJXYAXOXADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-2-17-13(16)15-10-7-9-5-3-4-6-11(9)12(14)8-10/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of ethyl N-(4-bromonaphthalen-2-yl)carbamate?
ethyl N-(4-bromonaphthalen-2-yl)carbamate has a molecular weight of 294.15 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-bromonaphthalen-2-yl)carbamate is sourced from PubChem (CID 11630721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).