ethyl N-(2-bromo-4-methylphenyl)carbamate

C10H12BrNO2 — CID 692185

IUPACethyl N-(2-bromo-4-methylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C10H12BrNO2/c1-3-14-10(13)12-9-5-4-7(2)6-8(9)11/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyVOJOJXFEHNYMDI-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.33
Rot. Bonds2

About ethyl N-(2-bromo-4-methylphenyl)carbamate

ethyl N-(2-bromo-4-methylphenyl)carbamate (PubChem CID 692185) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is ethyl N-(2-bromo-4-methylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-bromo-4-methylphenyl)carbamate
PubChem CID692185
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Nameethyl N-(2-bromo-4-methylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C10H12BrNO2/c1-3-14-10(13)12-9-5-4-7(2)6-8(9)11/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyVOJOJXFEHNYMDI-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-bromo-4-methylphenyl)carbamate?
The IUPAC name of ethyl N-(2-bromo-4-methylphenyl)carbamate (CID 692185) is ethyl N-(2-bromo-4-methylphenyl)carbamate.
What is the SMILES notation for ethyl N-(2-bromo-4-methylphenyl)carbamate?
The canonical SMILES for ethyl N-(2-bromo-4-methylphenyl)carbamate is CCOC(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of ethyl N-(2-bromo-4-methylphenyl)carbamate?
The InChIKey is VOJOJXFEHNYMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-3-14-10(13)12-9-5-4-7(2)6-8(9)11/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl N-(2-bromo-4-methylphenyl)carbamate?
ethyl N-(2-bromo-4-methylphenyl)carbamate has a molecular weight of 258.11 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-bromo-4-methylphenyl)carbamate is sourced from PubChem (CID 692185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).