3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea

C9H11Cl2N3O — CID 12537925

IUPAC3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
SMILESCNN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2N3O/c1-12-14(2)9(15)13-6-3-4-7(10)8(11)5-6/h3-5,12H,1-2H3,(H,13,15)
InChIKeyHKPXWYDRAHOWJK-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.59
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea

3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea (PubChem CID 12537925) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
PubChem CID12537925
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
SMILESCNN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2N3O/c1-12-14(2)9(15)13-6-3-4-7(10)8(11)5-6/h3-5,12H,1-2H3,(H,13,15)
InChIKeyHKPXWYDRAHOWJK-UHFFFAOYSA-N
XLogP2.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea
CID 12876090
3-(3,4-dichlorophenyl)-1-methyl-1-(methylsulfanylmethyl)urea
CID 21414071
3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47278262
1-tert-butylsulfonyl-3-(3,4-dichlorophenyl)-1-methylurea
CID 21414083
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
3-(3,4-dichlorophenyl)-1-methyl-1-(propyldisulfanyl)urea
CID 54418055
1-tert-butyl-3-(3,4-dichlorophenyl)-1-ethylurea
CID 108866426
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
S-methyl N-(3,4-dichlorophenyl)carbamothioate
CID 23273770

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea (CID 12537925) is 3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea is CNN(C)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea?
The InChIKey is HKPXWYDRAHOWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c1-12-14(2)9(15)13-6-3-4-7(10)8(11)5-6/h3-5,12H,1-2H3,(H,13,15).
What are the key properties of 3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea?
3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea has a molecular weight of 248.11 g/mol, XLogP of 2.59, 2 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-methyl-1-(methylamino)urea is sourced from PubChem (CID 12537925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).