ethyl N-(4-bromo-3-methylphenyl)carbamate

C10H12BrNO2 — CID 17173442

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

About ethyl N-(4-bromo-3-methylphenyl)carbamate

ethyl N-(4-bromo-3-methylphenyl)carbamate (PubChem CID 17173442) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is ethyl N-(4-bromo-3-methylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-bromo-3-methylphenyl)carbamate
PubChem CID17173442
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Nameethyl N-(4-bromo-3-methylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C10H12BrNO2/c1-3-14-10(13)12-8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyLAQLJLBNJPMLRZ-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

Analyze ethyl N-(4-bromo-3-methylphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-bromo-3-methylphenyl)carbamate?
The IUPAC name of ethyl N-(4-bromo-3-methylphenyl)carbamate (CID 17173442) is ethyl N-(4-bromo-3-methylphenyl)carbamate.
What is the SMILES notation for ethyl N-(4-bromo-3-methylphenyl)carbamate?
The canonical SMILES for ethyl N-(4-bromo-3-methylphenyl)carbamate is CCOC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of ethyl N-(4-bromo-3-methylphenyl)carbamate?
The InChIKey is LAQLJLBNJPMLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-3-14-10(13)12-8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl N-(4-bromo-3-methylphenyl)carbamate?
ethyl N-(4-bromo-3-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-(4-bromo-3-methylphenyl)carbamate is sourced from PubChem (CID 17173442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).