1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea

C9H10Cl2N2O2 — CID 115168288

IUPAC1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea
SMILESCOc1ccc(N(C)C(N)=O)c(Cl)c1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-13(9(12)14)5-3-4-6(15-2)8(11)7(5)10/h3-4H,1-2H3,(H2,12,14)
InChIKeyBEKBITUBSITIKY-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.52
Rot. Bonds2

About 1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea

1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea (PubChem CID 115168288) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea
PubChem CID115168288
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea
SMILESCOc1ccc(N(C)C(N)=O)c(Cl)c1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-13(9(12)14)5-3-4-6(15-2)8(11)7(5)10/h3-4H,1-2H3,(H2,12,14)
InChIKeyBEKBITUBSITIKY-UHFFFAOYSA-N
XLogP2.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1-(2,4,5-trimethoxyphenyl)urea
CID 115168286
2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide
CID 116827831
2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 82648135
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 115191205
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194462
methyl 2,6-dichloro-3-methoxybenzoate
CID 72942143
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 82494478
(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
CID 116924357
1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
CID 143401300
1-(dimethylamino)-1-(2-methoxyphenyl)urea
CID 67588036

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea (CID 115168288) is 1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea is COc1ccc(N(C)C(N)=O)c(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea?
The InChIKey is BEKBITUBSITIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-13(9(12)14)5-3-4-6(15-2)8(11)7(5)10/h3-4H,1-2H3,(H2,12,14).
What are the key properties of 1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea?
1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea has a molecular weight of 249.10 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloro-4-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 115168288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).