1-(2-bromo-3-chlorophenyl)-3-methylurea

C8H8BrClN2O — CID 103478758

IUPAC1-(2-bromo-3-chlorophenyl)-3-methylurea
SMILESCNC(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C8H8BrClN2O/c1-11-8(13)12-6-4-2-3-5(10)7(6)9/h2-4H,1H3,(H2,11,12,13)
InChIKeyHOBCFCCTMILLKG-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.85
Rot. Bonds1

About 1-(2-bromo-3-chlorophenyl)-3-methylurea

1-(2-bromo-3-chlorophenyl)-3-methylurea (PubChem CID 103478758) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-3-methylurea.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-3-methylurea
PubChem CID103478758
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC Name1-(2-bromo-3-chlorophenyl)-3-methylurea
SMILESCNC(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C8H8BrClN2O/c1-11-8(13)12-6-4-2-3-5(10)7(6)9/h2-4H,1H3,(H2,11,12,13)
InChIKeyHOBCFCCTMILLKG-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea
CID 103480099
(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide
CID 103479404
N-[3-[(2-bromo-3-chlorophenyl)carbamoylamino]propyl]acetamide
CID 99834298
3-[(2-bromo-3-chlorophenyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
CID 103480805
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea
CID 99834350
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103480819
N-(2-bromo-3-chlorophenyl)-2,6-dihydroxybenzamide
CID 107688834
N-(2-bromo-3-chlorophenyl)-2-methoxy-2-methylpropanamide
CID 103479902
N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
CID 103479840

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-3-methylurea?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-3-methylurea (CID 103478758) is 1-(2-bromo-3-chlorophenyl)-3-methylurea.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-3-methylurea?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-3-methylurea is CNC(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-3-methylurea?
The InChIKey is HOBCFCCTMILLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O/c1-11-8(13)12-6-4-2-3-5(10)7(6)9/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 1-(2-bromo-3-chlorophenyl)-3-methylurea?
1-(2-bromo-3-chlorophenyl)-3-methylurea has a molecular weight of 263.52 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)-3-methylurea is sourced from PubChem (CID 103478758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).