ethyl N-(3-bromo-5-methoxyphenyl)carbamate

C10H12BrNO3 — CID 82859669

IUPACethyl N-(3-bromo-5-methoxyphenyl)carbamate
SMILESCCOC(=O)Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C10H12BrNO3/c1-3-15-10(13)12-8-4-7(11)5-9(6-8)14-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyGZTVWXQTYHNFNF-UHFFFAOYSA-N
MW274.11 g/mol
LogP3.03
Rot. Bonds3

About ethyl N-(3-bromo-5-methoxyphenyl)carbamate

ethyl N-(3-bromo-5-methoxyphenyl)carbamate (PubChem CID 82859669) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is ethyl N-(3-bromo-5-methoxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-bromo-5-methoxyphenyl)carbamate
PubChem CID82859669
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Nameethyl N-(3-bromo-5-methoxyphenyl)carbamate
SMILESCCOC(=O)Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C10H12BrNO3/c1-3-15-10(13)12-8-4-7(11)5-9(6-8)14-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyGZTVWXQTYHNFNF-UHFFFAOYSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-(3-bromo-5-methoxyphenyl)carbamate 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 2-(3-bromo-5-methoxyanilino)pentanoate
CID 83041235
3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
CID 82867396
3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide
CID 106113513
(2S)-2-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbutanamide
CID 82868308
N-(3-bromo-5-methoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 82868476
1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175722040
N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide
CID 82860744
3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide
CID 82868226
N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide
CID 82859109
2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate
CID 13298348
methyl 2-(3-bromo-5-methoxyanilino)acetate
CID 82867874
2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate
CID 134090517

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-bromo-5-methoxyphenyl)carbamate?
The IUPAC name of ethyl N-(3-bromo-5-methoxyphenyl)carbamate (CID 82859669) is ethyl N-(3-bromo-5-methoxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(3-bromo-5-methoxyphenyl)carbamate?
The canonical SMILES for ethyl N-(3-bromo-5-methoxyphenyl)carbamate is CCOC(=O)Nc1cc(Br)cc(OC)c1.
What is the InChIKey of ethyl N-(3-bromo-5-methoxyphenyl)carbamate?
The InChIKey is GZTVWXQTYHNFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-3-15-10(13)12-8-4-7(11)5-9(6-8)14-2/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl N-(3-bromo-5-methoxyphenyl)carbamate?
ethyl N-(3-bromo-5-methoxyphenyl)carbamate has a molecular weight of 274.11 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-bromo-5-methoxyphenyl)carbamate is sourced from PubChem (CID 82859669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).