3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea

C9H10Cl2N2O3 — CID 71332843

IUPAC3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1cc(Cl)c(Cl)cc1O
InChIInChI=1S/C9H10Cl2N2O3/c1-13(16-2)9(15)12-7-3-5(10)6(11)4-8(7)14/h3-4,14H,1-2H3,(H,12,15)
InChIKeyQPSQFBTVSAPAIN-UHFFFAOYSA-N
MW265.10 g/mol
LogP2.72
Rot. Bonds2

About 3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea

3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea (PubChem CID 71332843) has the molecular formula C9H10Cl2N2O3 and a molecular weight of 265.10 g/mol. Its IUPAC name is 3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea
PubChem CID71332843
Molecular FormulaC9H10Cl2N2O3
Molecular Weight265.10 g/mol
Exact Mass264.01
IUPAC Name3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1cc(Cl)c(Cl)cc1O
InChIInChI=1S/C9H10Cl2N2O3/c1-13(16-2)9(15)12-7-3-5(10)6(11)4-8(7)14/h3-4,14H,1-2H3,(H,12,15)
InChIKeyQPSQFBTVSAPAIN-UHFFFAOYSA-N
XLogP2.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea
CID 118985035
3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea
CID 150580379
N-[5-chloro-4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]-2-hydroxyphenyl]acetamide
CID 57164250
tris(3-(4-chlorophenyl)-1,1-dimethylurea);bis(3-(4-chlorophenyl)-1-methoxy-1-methylurea)
CID 173361300
3-[3-[3-(3,4-dichlorophenyl)propyl]phenyl]-1-methoxy-1-methylurea
CID 54419076
N-[[2-chloro-4-[[methoxy(methyl)carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide
CID 134111017
3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 12801927
methyl 2-[(2,5-dichlorophenyl)carbamoyl-methylamino]acetate
CID 43624007
2-(2,4-dichlorophenyl)-N-methoxy-N-methylacetamide
CID 18445352
3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea
CID 112684763
3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide
CID 145439185
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea?
The IUPAC name of 3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea (CID 71332843) is 3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea.
What is the SMILES notation for 3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea?
The canonical SMILES for 3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea is CON(C)C(=O)Nc1cc(Cl)c(Cl)cc1O.
What is the InChIKey of 3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea?
The InChIKey is QPSQFBTVSAPAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O3/c1-13(16-2)9(15)12-7-3-5(10)6(11)4-8(7)14/h3-4,14H,1-2H3,(H,12,15).
What are the key properties of 3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea?
3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea has a molecular weight of 265.10 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea is sourced from PubChem (CID 71332843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).