(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate

C14H14BrNO2 — CID 3678098

IUPAC(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H14BrNO2/c1-9(2)16-14(17)18-13-6-4-10-7-12(15)5-3-11(10)8-13/h3-9H,1-2H3,(H,16,17)
InChIKeyJQZGYOLTKIJQJR-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.10
Rot. Bonds2

About (6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate

(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate (PubChem CID 3678098) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
PubChem CID3678098
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H14BrNO2/c1-9(2)16-14(17)18-13-6-4-10-7-12(15)5-3-11(10)8-13/h3-9H,1-2H3,(H,16,17)
InChIKeyJQZGYOLTKIJQJR-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromonaphthalen-2-yl)oxy-N-propan-2-ylpropanamide
CID 60517133
(6-bromonaphthalen-2-yl) N,N-dimethylcarbamate
CID 807327
3-(6-bromonaphthalen-2-yl)oxybutan-2-one
CID 60624745
(4-bromophenyl) N-propan-2-ylcarbamoperoxoate
CID 170339257
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
(3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate
CID 117060576
2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride
CID 10380881
(3-propan-2-ylphenyl) N-propan-2-ylcarbamate
CID 127551398
(3,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 54452790
2-(6-bromonaphthalen-2-yl)oxypropan-1-ol
CID 18367588
(6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate
CID 971360
(3-phenylphenyl) N-propan-2-ylcarbamate
CID 11673293

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate?
The IUPAC name of (6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate (CID 3678098) is (6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate.
What is the SMILES notation for (6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate?
The canonical SMILES for (6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of (6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate?
The InChIKey is JQZGYOLTKIJQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-9(2)16-14(17)18-13-6-4-10-7-12(15)5-3-11(10)8-13/h3-9H,1-2H3,(H,16,17).
What are the key properties of (6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate?
(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate has a molecular weight of 308.18 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate is sourced from PubChem (CID 3678098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).