3-(3,5-dichlorophenyl)-1,1-dimethylurea

C9H10Cl2N2O — CID 551927

IUPAC3-(3,5-dichlorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H3,(H,12,14)
InChIKeyNAOCHJCREOAPOF-UHFFFAOYSA-N
MW233.10 g/mol
LogP3.09
Rot. Bonds1

About 3-(3,5-dichlorophenyl)-1,1-dimethylurea

3-(3,5-dichlorophenyl)-1,1-dimethylurea (PubChem CID 551927) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-1,1-dimethylurea
PubChem CID551927
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name3-(3,5-dichlorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H3,(H,12,14)
InChIKeyNAOCHJCREOAPOF-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Diuron
CID 3120
Linuron
CID 9502
Iprodione
CID 37517
Monuron
CID 8800
Monolinuron
CID 15629
Chlortoluron
CID 27375
Fenuron
CID 7560
Monomethyldiuron
CID 19113
Monomethylmonuron
CID 79309
1-(3,5-Dichlorophenyl)urea
CID 4165004
Neburon
CID 11145
Buturon
CID 19587

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-1,1-dimethylurea?
The IUPAC name of 3-(3,5-dichlorophenyl)-1,1-dimethylurea (CID 551927) is 3-(3,5-dichlorophenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3,5-dichlorophenyl)-1,1-dimethylurea is CN(C)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-1,1-dimethylurea?
The InChIKey is NAOCHJCREOAPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H3,(H,12,14).
What are the key properties of 3-(3,5-dichlorophenyl)-1,1-dimethylurea?
3-(3,5-dichlorophenyl)-1,1-dimethylurea has a molecular weight of 233.10 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-1,1-dimethylurea is sourced from PubChem (CID 551927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).