3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea

C12H18Cl2N4O2 — CID 175137173

IUPAC3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1.CN(C)C(N)=O
InChIInChI=1S/C9H10Cl2N2O.C3H8N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6;1-5(2)3(4)6/h3-5H,1-2H3,(H,12,14);1-2H3,(H2,4,6)
InChIKeyPLTICLOJXKTHLU-UHFFFAOYSA-N
MW321.21 g/mol
LogP2.71
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea

3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea (PubChem CID 175137173) has the molecular formula C12H18Cl2N4O2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
PubChem CID175137173
Molecular FormulaC12H18Cl2N4O2
Molecular Weight321.21 g/mol
Exact Mass320.08
IUPAC Name3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1.CN(C)C(N)=O
InChIInChI=1S/C9H10Cl2N2O.C3H8N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6;1-5(2)3(4)6/h3-5H,1-2H3,(H,12,14);1-2H3,(H2,4,6)
InChIKeyPLTICLOJXKTHLU-UHFFFAOYSA-N
XLogP2.71
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-amino-4-chlorophenyl)-1,1-dimethylurea
CID 79154275
1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea
CID 12876090
3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
CID 12537925
CID 88605382
CID 88605382
1-tert-butylsulfonyl-3-(3,4-dichlorophenyl)-1-methylurea
CID 21414083
3-(3,4-dichlorophenyl)-1-methyl-1-(methylsulfanylmethyl)urea
CID 21414071
3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47278262
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(3,4-dichlorophenyl)-1-methylurea
CID 54991673
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641
3-(3,4-dichlorophenyl)-1-methyl-1-propylsulfanylurea
CID 21414077
1-(3-bromopropyl)-3-(3,4-dichlorophenyl)-1-methylurea
CID 106441536

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea (CID 175137173) is 3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea is CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1.CN(C)C(N)=O.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea?
The InChIKey is PLTICLOJXKTHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O.C3H8N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6;1-5(2)3(4)6/h3-5H,1-2H3,(H,12,14);1-2H3,(H2,4,6).
What are the key properties of 3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea?
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea has a molecular weight of 321.21 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea is sourced from PubChem (CID 175137173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).