methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate

C10H12BrNO3 — CID 115190454

IUPACmethyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H12BrNO3/c1-12(10(13)15-3)7-4-5-9(14-2)8(11)6-7/h4-6H,1-3H3
InChIKeyFATDFQXGRXAIJB-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.66
Rot. Bonds2

About methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate

methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate (PubChem CID 115190454) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate
PubChem CID115190454
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Namemethyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H12BrNO3/c1-12(10(13)15-3)7-4-5-9(14-2)8(11)6-7/h4-6H,1-3H3
InChIKeyFATDFQXGRXAIJB-UHFFFAOYSA-N
XLogP2.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl N-(3-bromo-4-methoxyphenyl)-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

2-amino-3-(3-bromo-4-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 115179199
4-(3-bromo-4-methoxy-N-methylanilino)-4-oxobutanoic acid
CID 115163676
methyl 2-(3-bromo-4-methoxy-N-methylanilino)-2-methylpropanoate
CID 115128349
3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 62001887
N-(3-bromo-4-methoxyphenyl)-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183261
3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106935938
5-(3-bromo-4-methoxy-N-methylanilino)pentan-2-one
CID 115236332
N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide
CID 115160313
3-bromo-4-methoxy-N',N'-dimethylbenzohydrazide
CID 78911956
N-[4-(3-bromo-4-methoxybenzoyl)phenyl]-N-methylformamide
CID 61033195
(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990
2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847432

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate?
The IUPAC name of methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate (CID 115190454) is methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate is COC(=O)N(C)c1ccc(OC)c(Br)c1.
What is the InChIKey of methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate?
The InChIKey is FATDFQXGRXAIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-12(10(13)15-3)7-4-5-9(14-2)8(11)6-7/h4-6H,1-3H3.
What are the key properties of methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate?
methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate has a molecular weight of 274.11 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-bromo-4-methoxyphenyl)-N-methylcarbamate is sourced from PubChem (CID 115190454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).