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

C9H10Cl2N2O2 — CID 115168935

IUPAC1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-12-9(14)13-5-3-4-6(15-2)8(11)7(5)10/h3-4H,1-2H3,(H2,12,13,14)
InChIKeyJLOKTNZDCQVGBU-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.75
Rot. Bonds2

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

1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea (PubChem CID 115168935) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea
PubChem CID115168935
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-12-9(14)13-5-3-4-6(15-2)8(11)7(5)10/h3-4H,1-2H3,(H2,12,13,14)
InChIKeyJLOKTNZDCQVGBU-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine
CID 115226587
N-(3-chloro-2,4-dimethoxyphenyl)acetamide
CID 91691937
1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea
CID 115168887
1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea
CID 115168877
1-(4-anilino-2-methoxyphenyl)-3-methylurea
CID 110178450
methyl 2,6-dichloro-3-methoxybenzoate
CID 72942143
(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid
CID 115170906
N-[(2,3-dichloro-4-methoxyphenyl)methyl]carbamoyl chloride
CID 115194701
1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea
CID 18006545
N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
CID 103766869
1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea
CID 126789448
1-(4-bromo-2-chlorophenyl)-3-methylurea
CID 21161446

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea?
The IUPAC name of 1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea (CID 115168935) is 1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea.
What is the SMILES notation for 1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea?
The canonical SMILES for 1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea is CNC(=O)Nc1ccc(OC)c(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea?
The InChIKey is JLOKTNZDCQVGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-12-9(14)13-5-3-4-6(15-2)8(11)7(5)10/h3-4H,1-2H3,(H2,12,13,14).
What are the key properties of 1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea?
1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea has a molecular weight of 249.10 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea is sourced from PubChem (CID 115168935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).