3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea

C9H10BrClN2O2 — CID 25912

IUPAC3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
InChIKeyNLYNUTMZTCLNOO-UHFFFAOYSA-N
MW293.55 g/mol
LogP3.13
Rot. Bonds2

About 3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea

3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea (PubChem CID 25912) has the molecular formula C9H10BrClN2O2 and a molecular weight of 293.55 g/mol. Its IUPAC name is 3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea
PubChem CID25912
Molecular FormulaC9H10BrClN2O2
Molecular Weight293.55 g/mol
Exact Mass291.96
IUPAC Name3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
InChIKeyNLYNUTMZTCLNOO-UHFFFAOYSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.55
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Metobromuron
CID 18290
Monolinuron
CID 15629
Mls000756417
CID 302780
1-(4-Bromophenyl)-3-methoxyurea
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N-(4-Bromo-3-chlorophenyl)acetamide
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1-(4-Bromophenyl)-3-(3-chlorophenyl)urea
CID 302770
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1-(4-Bromophenyl)-3-(4-chlorophenyl)urea
CID 730699
1-(4-Bromo-2-fluorophenyl)-3-(3-chlorophenyl)urea
CID 2116164
N-(4-bromo-2-chlorophenyl)-N'-cyclopropylurea
CID 6466991
1-(4-Bromo-2-chlorophenyl)-3-propan-2-ylurea
CID 6467204
N-(4-bromo-3-chlorophenyl)-N'-phenylurea
CID 681321

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea?
The IUPAC name of 3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea (CID 25912) is 3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea.
What is the SMILES notation for 3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea?
The canonical SMILES for 3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea is CON(C)C(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea?
The InChIKey is NLYNUTMZTCLNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14).
What are the key properties of 3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea?
3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea has a molecular weight of 293.55 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea is sourced from PubChem (CID 25912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).