1-[(2-bromophenyl)methyl]-1-methylurea

C9H11BrN2O — CID 60703114

IUPAC1-[(2-bromophenyl)methyl]-1-methylurea
SMILESCN(Cc1ccccc1Br)C(N)=O
InChIInChI=1S/C9H11BrN2O/c1-12(9(11)13)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyDNZUVOQBMLHBEX-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.96
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-1-methylurea

1-[(2-bromophenyl)methyl]-1-methylurea (PubChem CID 60703114) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-1-methylurea
PubChem CID60703114
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name1-[(2-bromophenyl)methyl]-1-methylurea
SMILESCN(Cc1ccccc1Br)C(N)=O
InChIInChI=1S/C9H11BrN2O/c1-12(9(11)13)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyDNZUVOQBMLHBEX-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(2-bromophenyl)methyl]-1-methylurea 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

N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895271
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 55102721
4-[(2-bromophenyl)methyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993043
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(2-bromophenyl)methyl]-1-methylurea (CID 60703114) is 1-[(2-bromophenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-1-methylurea is CN(Cc1ccccc1Br)C(N)=O.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-1-methylurea?
The InChIKey is DNZUVOQBMLHBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-12(9(11)13)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H2,11,13).
What are the key properties of 1-[(2-bromophenyl)methyl]-1-methylurea?
1-[(2-bromophenyl)methyl]-1-methylurea has a molecular weight of 243.10 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-1-methylurea is sourced from PubChem (CID 60703114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).