(1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate

C13H11Br2NO2 — CID 1186397

IUPAC(1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2cc(Br)ccc2c1Br
InChIInChI=1S/C13H11Br2NO2/c1-16(2)13(17)18-11-6-3-8-7-9(14)4-5-10(8)12(11)15/h3-7H,1-2H3
InChIKeyVQPLPUPLGWYUIL-UHFFFAOYSA-N
MW373.04 g/mol
LogP4.43
Rot. Bonds1

About (1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate

(1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate (PubChem CID 1186397) has the molecular formula C13H11Br2NO2 and a molecular weight of 373.04 g/mol. Its IUPAC name is (1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate
PubChem CID1186397
Molecular FormulaC13H11Br2NO2
Molecular Weight373.04 g/mol
Exact Mass370.92
IUPAC Name(1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2cc(Br)ccc2c1Br
InChIInChI=1S/C13H11Br2NO2/c1-16(2)13(17)18-11-6-3-8-7-9(14)4-5-10(8)12(11)15/h3-7H,1-2H3
InChIKeyVQPLPUPLGWYUIL-UHFFFAOYSA-N
XLogP4.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Bromo-2-methoxynaphthalene
CID 72860
1,6-Dibromo-2-methoxy-naphthalene
CID 3503057
2-Bromo-3-methoxynaphthalene
CID 13351910
4-Bromonaphthalen-1-yl dimethylcarbamate
CID 883394
1-Bromo-2-naphthyl diethylcarbamate
CID 735653
6-bromonaphthalen-2-yl N,N-dimethylcarbamate
CID 807327
6-Bromo-2-naphthyl N-butylcarbamate
CID 3361366
1-bromonaphthalen-2-yl N,N-dimethylcarbamate
CID 735654
4-Bromo-1-naphthyl diethylcarbamate
CID 883462
6-Bromo-2-naphthyl diethylcarbamate
CID 1121365
1-Bromo-2-naphthyl 1-azepanecarboxylate
CID 2928803
1-Bromo-6-propyl-2-naphthalenyl Ester N,N-Dimethylcarbamic Acid
CID 51039096

Frequently Asked Questions

What is the IUPAC name of (1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate?
The IUPAC name of (1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate (CID 1186397) is (1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate?
The canonical SMILES for (1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc2cc(Br)ccc2c1Br.
What is the InChIKey of (1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate?
The InChIKey is VQPLPUPLGWYUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2/c1-16(2)13(17)18-11-6-3-8-7-9(14)4-5-10(8)12(11)15/h3-7H,1-2H3.
What are the key properties of (1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate?
(1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate has a molecular weight of 373.04 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dibromonaphthalen-2-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 1186397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).