(6-bromonaphthalen-2-yl) N,N-diethylcarbamate

C15H16BrNO2 — CID 1121365

IUPAC(6-bromonaphthalen-2-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16BrNO2/c1-3-17(4-2)15(18)19-14-8-6-11-9-13(16)7-5-12(11)10-14/h5-10H,3-4H2,1-2H3
InChIKeyXGLOOZNFLVQPBZ-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.44
Rot. Bonds3

About (6-bromonaphthalen-2-yl) N,N-diethylcarbamate

(6-bromonaphthalen-2-yl) N,N-diethylcarbamate (PubChem CID 1121365) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl) N,N-diethylcarbamate
PubChem CID1121365
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(6-bromonaphthalen-2-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16BrNO2/c1-3-17(4-2)15(18)19-14-8-6-11-9-13(16)7-5-12(11)10-14/h5-10H,3-4H2,1-2H3
InChIKeyXGLOOZNFLVQPBZ-UHFFFAOYSA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl) N,N-diethylcarbamate?
The IUPAC name of (6-bromonaphthalen-2-yl) N,N-diethylcarbamate (CID 1121365) is (6-bromonaphthalen-2-yl) N,N-diethylcarbamate.
What is the SMILES notation for (6-bromonaphthalen-2-yl) N,N-diethylcarbamate?
The canonical SMILES for (6-bromonaphthalen-2-yl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of (6-bromonaphthalen-2-yl) N,N-diethylcarbamate?
The InChIKey is XGLOOZNFLVQPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-3-17(4-2)15(18)19-14-8-6-11-9-13(16)7-5-12(11)10-14/h5-10H,3-4H2,1-2H3.
What are the key properties of (6-bromonaphthalen-2-yl) N,N-diethylcarbamate?
(6-bromonaphthalen-2-yl) N,N-diethylcarbamate has a molecular weight of 322.20 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl) N,N-diethylcarbamate is sourced from PubChem (CID 1121365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).