(4-bromonaphthalen-1-yl) N,N-dimethylcarbamate

C13H12BrNO2 — CID 883394

IUPAC(4-bromonaphthalen-1-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(Br)c2ccccc12
InChIInChI=1S/C13H12BrNO2/c1-15(2)13(16)17-12-8-7-11(14)9-5-3-4-6-10(9)12/h3-8H,1-2H3
InChIKeyLYUOLDGFDPVZLE-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.66
Rot. Bonds1

About (4-bromonaphthalen-1-yl) N,N-dimethylcarbamate

(4-bromonaphthalen-1-yl) N,N-dimethylcarbamate (PubChem CID 883394) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl) N,N-dimethylcarbamate
PubChem CID883394
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name(4-bromonaphthalen-1-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(Br)c2ccccc12
InChIInChI=1S/C13H12BrNO2/c1-15(2)13(16)17-12-8-7-11(14)9-5-3-4-6-10(9)12/h3-8H,1-2H3
InChIKeyLYUOLDGFDPVZLE-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Bromo-4-methoxynaphthalene
CID 138521
1-Bromo-2-naphthyl diethylcarbamate
CID 735653
6-bromonaphthalen-2-yl N,N-dimethylcarbamate
CID 807327
1-bromonaphthalen-2-yl N,N-dimethylcarbamate
CID 735654
4-Bromo-1-naphthyl diethylcarbamate
CID 883462
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) azetidine-1-carboxylate
CID 70691018
(1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate
CID 70695218
1-Bromonaphthalen-2-yl piperidine-1-carboxylate
CID 735652

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl) N,N-dimethylcarbamate?
The IUPAC name of (4-bromonaphthalen-1-yl) N,N-dimethylcarbamate (CID 883394) is (4-bromonaphthalen-1-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (4-bromonaphthalen-1-yl) N,N-dimethylcarbamate?
The canonical SMILES for (4-bromonaphthalen-1-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(Br)c2ccccc12.
What is the InChIKey of (4-bromonaphthalen-1-yl) N,N-dimethylcarbamate?
The InChIKey is LYUOLDGFDPVZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-15(2)13(16)17-12-8-7-11(14)9-5-3-4-6-10(9)12/h3-8H,1-2H3.
What are the key properties of (4-bromonaphthalen-1-yl) N,N-dimethylcarbamate?
(4-bromonaphthalen-1-yl) N,N-dimethylcarbamate has a molecular weight of 294.15 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromonaphthalen-1-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 883394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).