ethyl N-(4-bromophenyl)-N-methylcarbamate

C10H12BrNO2 — CID 131862849

IUPACethyl N-(4-bromophenyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2/c1-3-14-10(13)12(2)9-6-4-8(11)5-7-9/h4-7H,3H2,1-2H3
InChIKeyYVYPJYMLHXCBRQ-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.04
Rot. Bonds2

About ethyl N-(4-bromophenyl)-N-methylcarbamate

ethyl N-(4-bromophenyl)-N-methylcarbamate (PubChem CID 131862849) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is ethyl N-(4-bromophenyl)-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(4-bromophenyl)-N-methylcarbamate
PubChem CID131862849
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Nameethyl N-(4-bromophenyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2/c1-3-14-10(13)12(2)9-6-4-8(11)5-7-9/h4-7H,3H2,1-2H3
InChIKeyYVYPJYMLHXCBRQ-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl N-(4-bromophenyl)-N-methylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate
CID 173195288
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686
2-bromo-N-(4-bromophenyl)-N-methylacetamide
CID 174990155
ethyl N-(4-bromophenyl)-N-(cyanomethyl)carbamate
CID 174355320
1-(4-bromophenyl)-3-methoxy-1-methylurea
CID 142707557
N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 43376432
ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate
CID 50890872
ethyl N-[(4-bromophenyl)methyl]-N-cyanocarbamate
CID 139239929
methyl 2-[(4-bromo-N-methylanilino)methyl]butanoate
CID 115253055
N-(4-bromophenyl)-N-hydroxypropanamide
CID 165357463
4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide
CID 115156946
ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate
CID 60568186

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-bromophenyl)-N-methylcarbamate?
The IUPAC name of ethyl N-(4-bromophenyl)-N-methylcarbamate (CID 131862849) is ethyl N-(4-bromophenyl)-N-methylcarbamate.
What is the SMILES notation for ethyl N-(4-bromophenyl)-N-methylcarbamate?
The canonical SMILES for ethyl N-(4-bromophenyl)-N-methylcarbamate is CCOC(=O)N(C)c1ccc(Br)cc1.
What is the InChIKey of ethyl N-(4-bromophenyl)-N-methylcarbamate?
The InChIKey is YVYPJYMLHXCBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-3-14-10(13)12(2)9-6-4-8(11)5-7-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl N-(4-bromophenyl)-N-methylcarbamate?
ethyl N-(4-bromophenyl)-N-methylcarbamate has a molecular weight of 258.11 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-bromophenyl)-N-methylcarbamate is sourced from PubChem (CID 131862849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).