1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea

C11H13Cl2N3O2 — CID 12876090

IUPAC1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N3O2/c1-15(2)11(18)16(3)10(17)14-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H,14,17)
InChIKeyMWLYSBLTNDCVIV-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.14
Rot. Bonds1

About 1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea

1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea (PubChem CID 12876090) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea
PubChem CID12876090
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC Name1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N3O2/c1-15(2)11(18)16(3)10(17)14-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H,14,17)
InChIKeyMWLYSBLTNDCVIV-UHFFFAOYSA-N
XLogP3.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
CID 12537925
1-(3-bromopropyl)-3-(3,4-dichlorophenyl)-1-methylurea
CID 106441536
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-methyl-1-(methylsulfanylmethyl)urea
CID 21414071
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641
3-(3-amino-4-chlorophenyl)-1,1-dimethylurea
CID 79154275
3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea
CID 20788075
3-(3,4-dichlorophenyl)-1-methyl-1-propylsulfanylurea
CID 21414077
3-(3,4-dichlorophenyl)-1-methyl-1-(2,2,2-trichloro-1-ethylsulfanylethyl)urea
CID 12906047
CID 88605382
CID 88605382

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea?
The IUPAC name of 1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea (CID 12876090) is 1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea is CN(C)C(=O)N(C)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea?
The InChIKey is MWLYSBLTNDCVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c1-15(2)11(18)16(3)10(17)14-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H,14,17).
What are the key properties of 1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea?
1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea has a molecular weight of 290.15 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea is sourced from PubChem (CID 12876090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).