3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea

C13H19Cl2N3O2 — CID 83120511

IUPAC3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N3O2/c1-18(2)13(20)17-6-5-16-8-12(19)10-7-9(14)3-4-11(10)15/h3-4,7,12,16,19H,5-6,8H2,1-2H3,(H,17,20)
InChIKeyHDNFLDURRHFSFJ-UHFFFAOYSA-N
MW320.22 g/mol
LogP1.89
Rot. Bonds6

About 3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea

3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea (PubChem CID 83120511) has the molecular formula C13H19Cl2N3O2 and a molecular weight of 320.22 g/mol. Its IUPAC name is 3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea
PubChem CID83120511
Molecular FormulaC13H19Cl2N3O2
Molecular Weight320.22 g/mol
Exact Mass319.09
IUPAC Name3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N3O2/c1-18(2)13(20)17-6-5-16-8-12(19)10-7-9(14)3-4-11(10)15/h3-4,7,12,16,19H,5-6,8H2,1-2H3,(H,17,20)
InChIKeyHDNFLDURRHFSFJ-UHFFFAOYSA-N
XLogP1.89
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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3-[2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea
CID 83113305
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea (CID 83120511) is 3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNCC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea?
The InChIKey is HDNFLDURRHFSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O2/c1-18(2)13(20)17-6-5-16-8-12(19)10-7-9(14)3-4-11(10)15/h3-4,7,12,16,19H,5-6,8H2,1-2H3,(H,17,20).
What are the key properties of 3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea?
3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea has a molecular weight of 320.22 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83120511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).