methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate

C10H12BrNO3 — CID 10891056

IUPACmethyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate
SMILESCOC(=O)N(OC)c1ccccc1CBr
InChIInChI=1S/C10H12BrNO3/c1-14-10(13)12(15-2)9-6-4-3-5-8(9)7-11/h3-6H,7H2,1-2H3
InChIKeyRQWNDKMYDFTZIV-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.72
Rot. Bonds3

About methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate

methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate (PubChem CID 10891056) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate.

Molecular Properties

Compound Namemethyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate
PubChem CID10891056
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Namemethyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate
SMILESCOC(=O)N(OC)c1ccccc1CBr
InChIInChI=1S/C10H12BrNO3/c1-14-10(13)12(15-2)9-6-4-3-5-8(9)7-11/h3-6H,7H2,1-2H3
InChIKeyRQWNDKMYDFTZIV-UHFFFAOYSA-N
XLogP2.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate 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-[2-(bromomethyl)phenyl]-N-methoxycarbamate
CID 141060138
CID 20667532
CID 20667532
methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
CID 20667655
tert-butyl N-[2-(bromomethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232067
[2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate
CID 54302487
methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
CID 54149185
tert-butyl N-methoxy-N-(2-methylphenyl)carbamate
CID 54101933
methyl 3-[2-(bromomethyl)-N-methylanilino]pentanoate
CID 20752969
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
CID 6422843
methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
CID 141106557

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate?
The IUPAC name of methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate (CID 10891056) is methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate.
What is the SMILES notation for methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate?
The canonical SMILES for methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate is COC(=O)N(OC)c1ccccc1CBr.
What is the InChIKey of methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate?
The InChIKey is RQWNDKMYDFTZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-14-10(13)12(15-2)9-6-4-3-5-8(9)7-11/h3-6H,7H2,1-2H3.
What are the key properties of methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate?
methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate has a molecular weight of 274.11 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate is sourced from PubChem (CID 10891056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).