(8-bromonaphthalen-2-yl) N-cyclohexylcarbamate

C17H18BrNO2 — CID 11824225

IUPAC(8-bromonaphthalen-2-yl) N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1ccc2cccc(Br)c2c1
InChIInChI=1S/C17H18BrNO2/c18-16-8-4-5-12-9-10-14(11-15(12)16)21-17(20)19-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7H2,(H,19,20)
InChIKeyXPXJYHQENPSHOH-UHFFFAOYSA-N
MW348.24 g/mol
LogP5.02
Rot. Bonds2

About (8-bromonaphthalen-2-yl) N-cyclohexylcarbamate

(8-bromonaphthalen-2-yl) N-cyclohexylcarbamate (PubChem CID 11824225) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is (8-bromonaphthalen-2-yl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(8-bromonaphthalen-2-yl) N-cyclohexylcarbamate
PubChem CID11824225
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name(8-bromonaphthalen-2-yl) N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1ccc2cccc(Br)c2c1
InChIInChI=1S/C17H18BrNO2/c18-16-8-4-5-12-9-10-14(11-15(12)16)21-17(20)19-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7H2,(H,19,20)
InChIKeyXPXJYHQENPSHOH-UHFFFAOYSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.24
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl[1,1'-biphenyl]-3-yl cyclohexylcarbamate
CID 58801126
Naphthalen-2-yl cyclohexylcarbamate
CID 306585
1-Bromo-2-naphthyl diethylcarbamate
CID 735653
6-Bromo-2-naphthyl N-butylcarbamate
CID 3361366
6-Bromo-2-naphthyl diethylcarbamate
CID 1121365
1-Bromo-2-naphthyl 1-azepanecarboxylate
CID 2928803
(1-bromonaphthalen-2-yl) N-benzylcarbamate
CID 70686846
(1-Bromonaphthalen-2-yl) azetidine-1-carboxylate
CID 70691018
1-Bromonaphthalen-2-yl piperidine-1-carboxylate
CID 735652
naphthalen-1-yl N-cyclohexylcarbamate
CID 832886
Cyclohexyl-carbamic acid 6-ethyl-naphthalen-2-yl ester
CID 11098519
(1-bromonaphthalen-2-yl) N-butylcarbamate
CID 70682614

Frequently Asked Questions

What is the IUPAC name of (8-bromonaphthalen-2-yl) N-cyclohexylcarbamate?
The IUPAC name of (8-bromonaphthalen-2-yl) N-cyclohexylcarbamate (CID 11824225) is (8-bromonaphthalen-2-yl) N-cyclohexylcarbamate.
What is the SMILES notation for (8-bromonaphthalen-2-yl) N-cyclohexylcarbamate?
The canonical SMILES for (8-bromonaphthalen-2-yl) N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1ccc2cccc(Br)c2c1.
What is the InChIKey of (8-bromonaphthalen-2-yl) N-cyclohexylcarbamate?
The InChIKey is XPXJYHQENPSHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c18-16-8-4-5-12-9-10-14(11-15(12)16)21-17(20)19-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7H2,(H,19,20).
What are the key properties of (8-bromonaphthalen-2-yl) N-cyclohexylcarbamate?
(8-bromonaphthalen-2-yl) N-cyclohexylcarbamate has a molecular weight of 348.24 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromonaphthalen-2-yl) N-cyclohexylcarbamate is sourced from PubChem (CID 11824225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).