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

C14H14BrNO2 — CID 70693146

IUPAC(1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C14H14BrNO2/c1-9(2)16-14(17)18-12-8-7-10-5-3-4-6-11(10)13(12)15/h3-9H,1-2H3,(H,16,17)
InChIKeyGCBXSVPXIPEIOO-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.10
Rot. Bonds2

About (1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate

(1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate (PubChem CID 70693146) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is (1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
PubChem CID70693146
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name(1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C14H14BrNO2/c1-9(2)16-14(17)18-12-8-7-10-5-3-4-6-11(10)13(12)15/h3-9H,1-2H3,(H,16,17)
InChIKeyGCBXSVPXIPEIOO-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-trimethylsilylnaphthalen-1-yl) N-propan-2-ylcarbamate
CID 15537264
(1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate
CID 7918561
(2R)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100653036
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
(1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate
CID 7918557
(1-bromonaphthalen-2-yl) 3-bromo-4-propan-2-yloxybenzoate
CID 23012982
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 133194382
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
(2R)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100719383
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132688333
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 133194715

Frequently Asked Questions

What is the IUPAC name of (1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate?
The IUPAC name of (1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate (CID 70693146) is (1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate.
What is the SMILES notation for (1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate?
The canonical SMILES for (1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1ccc2ccccc2c1Br.
What is the InChIKey of (1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate?
The InChIKey is GCBXSVPXIPEIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-9(2)16-14(17)18-12-8-7-10-5-3-4-6-11(10)13(12)15/h3-9H,1-2H3,(H,16,17).
What are the key properties of (1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate?
(1-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 (1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate is sourced from PubChem (CID 70693146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).