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

C15H16BrNO2 — CID 883462

IUPAC(4-bromonaphthalen-1-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(Br)c2ccccc12
InChIInChI=1S/C15H16BrNO2/c1-3-17(4-2)15(18)19-14-10-9-13(16)11-7-5-6-8-12(11)14/h5-10H,3-4H2,1-2H3
InChIKeyGBZVAFHGNJOCMQ-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.44
Rot. Bonds3

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

(4-bromonaphthalen-1-yl) N,N-diethylcarbamate (PubChem CID 883462) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl) N,N-diethylcarbamate
PubChem CID883462
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(4-bromonaphthalen-1-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(Br)c2ccccc12
InChIInChI=1S/C15H16BrNO2/c1-3-17(4-2)15(18)19-14-10-9-13(16)11-7-5-6-8-12(11)14/h5-10H,3-4H2,1-2H3
InChIKeyGBZVAFHGNJOCMQ-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
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
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-Bromonaphthalen-2-yl piperidine-1-carboxylate
CID 735652
(1-bromonaphthalen-2-yl) N-butylcarbamate
CID 70682614

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl) N,N-diethylcarbamate?
The IUPAC name of (4-bromonaphthalen-1-yl) N,N-diethylcarbamate (CID 883462) is (4-bromonaphthalen-1-yl) N,N-diethylcarbamate.
What is the SMILES notation for (4-bromonaphthalen-1-yl) N,N-diethylcarbamate?
The canonical SMILES for (4-bromonaphthalen-1-yl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(Br)c2ccccc12.
What is the InChIKey of (4-bromonaphthalen-1-yl) N,N-diethylcarbamate?
The InChIKey is GBZVAFHGNJOCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-3-17(4-2)15(18)19-14-10-9-13(16)11-7-5-6-8-12(11)14/h5-10H,3-4H2,1-2H3.
What are the key properties of (4-bromonaphthalen-1-yl) N,N-diethylcarbamate?
(4-bromonaphthalen-1-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 (4-bromonaphthalen-1-yl) N,N-diethylcarbamate is sourced from PubChem (CID 883462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).