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

C15H16BrNO2 — CID 735653

IUPAC(1-bromonaphthalen-2-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H16BrNO2/c1-3-17(4-2)15(18)19-13-10-9-11-7-5-6-8-12(11)14(13)16/h5-10H,3-4H2,1-2H3
InChIKeyBKLVMZQTBJAKRV-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.44
Rot. Bonds3

About (1-bromonaphthalen-2-yl) N,N-diethylcarbamate

(1-bromonaphthalen-2-yl) N,N-diethylcarbamate (PubChem CID 735653) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (1-bromonaphthalen-2-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(1-bromonaphthalen-2-yl) N,N-diethylcarbamate
PubChem CID735653
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(1-bromonaphthalen-2-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H16BrNO2/c1-3-17(4-2)15(18)19-13-10-9-11-7-5-6-8-12(11)14(13)16/h5-10H,3-4H2,1-2H3
InChIKeyBKLVMZQTBJAKRV-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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Related Compounds

4-Bromonaphthalen-1-yl dimethylcarbamate
CID 883394
6-bromonaphthalen-2-yl N,N-dimethylcarbamate
CID 807327
6-Bromo-2-naphthyl N-butylcarbamate
CID 3361366
(8-bromonaphthalen-2-yl) N-cyclohexylcarbamate
CID 11824225
1-bromonaphthalen-2-yl N,N-dimethylcarbamate
CID 735654
4-Bromo-1-naphthyl diethylcarbamate
CID 883462
4-{[(1-Bromo-2-naphthyl)oxy]acetyl}morpholine
CID 1010736
6-Bromo-2-naphthyl diethylcarbamate
CID 1121365
1,6-dibromonaphthalen-2-yl N,N-dimethylcarbamate
CID 1186397
1-Bromo-2-naphthyl 1-azepanecarboxylate
CID 2928803
1-Bromo-6-propyl-2-naphthalenyl Ester N,N-Dimethylcarbamic Acid
CID 51039096
(1-bromonaphthalen-2-yl) N-benzylcarbamate
CID 70686846

Frequently Asked Questions

What is the IUPAC name of (1-bromonaphthalen-2-yl) N,N-diethylcarbamate?
The IUPAC name of (1-bromonaphthalen-2-yl) N,N-diethylcarbamate (CID 735653) is (1-bromonaphthalen-2-yl) N,N-diethylcarbamate.
What is the SMILES notation for (1-bromonaphthalen-2-yl) N,N-diethylcarbamate?
The canonical SMILES for (1-bromonaphthalen-2-yl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc2ccccc2c1Br.
What is the InChIKey of (1-bromonaphthalen-2-yl) N,N-diethylcarbamate?
The InChIKey is BKLVMZQTBJAKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-3-17(4-2)15(18)19-13-10-9-11-7-5-6-8-12(11)14(13)16/h5-10H,3-4H2,1-2H3.
What are the key properties of (1-bromonaphthalen-2-yl) N,N-diethylcarbamate?
(1-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 (1-bromonaphthalen-2-yl) N,N-diethylcarbamate is sourced from PubChem (CID 735653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).