3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea

C12H16Cl2N2O — CID 47278262

IUPAC3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
SMILESCC(C)CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-8(2)7-16(3)12(17)15-9-4-5-10(13)11(14)6-9/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyRMJNHVIWDLDIFX-UHFFFAOYSA-N
MW275.18 g/mol
LogP4.11
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea

3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea (PubChem CID 47278262) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
PubChem CID47278262
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
SMILESCC(C)CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-8(2)7-16(3)12(17)15-9-4-5-10(13)11(14)6-9/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyRMJNHVIWDLDIFX-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(3,4-dichlorophenyl)-1-methylurea
CID 54991673
3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 21430064
3-(3,4-dichlorophenyl)-1-methyl-1-(methylsulfanylmethyl)urea
CID 21414071
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641
1-(3-bromopropyl)-3-(3,4-dichlorophenyl)-1-methylurea
CID 106441536
3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea
CID 20788075
3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
CID 12537925
2-chloro-4-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 61429324
3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47364374
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
2-bromo-5-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 115296696
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea (CID 47278262) is 3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea is CC(C)CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea?
The InChIKey is RMJNHVIWDLDIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-8(2)7-16(3)12(17)15-9-4-5-10(13)11(14)6-9/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of 3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea?
3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea has a molecular weight of 275.18 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea is sourced from PubChem (CID 47278262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).