3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea

C8H15Cl2N3O — CID 83120350

IUPAC3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2N3O/c1-13(2)8(14)12-4-3-11-6-7(10)5-9/h5,11H,3-4,6H2,1-2H3,(H,12,14)
InChIKeyFACZFFYPCNBAEE-UHFFFAOYSA-N
MW240.13 g/mol
LogP1.17
Rot. Bonds5

About 3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea

3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea (PubChem CID 83120350) has the molecular formula C8H15Cl2N3O and a molecular weight of 240.13 g/mol. Its IUPAC name is 3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea
PubChem CID83120350
Molecular FormulaC8H15Cl2N3O
Molecular Weight240.13 g/mol
Exact Mass239.06
IUPAC Name3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2N3O/c1-13(2)8(14)12-4-3-11-6-7(10)5-9/h5,11H,3-4,6H2,1-2H3,(H,12,14)
InChIKeyFACZFFYPCNBAEE-UHFFFAOYSA-N
XLogP1.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine
CID 79167152
3-[2-[[(E)-4-chlorobut-2-enyl]amino]ethyl]-1,1-dimethylurea
CID 83121574
N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79167644
2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine
CID 104864624
2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide
CID 83120793
ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate
CID 103262400
N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide
CID 83110912
3-[2-(dodecylamino)ethyl]-1,1-dimethylurea
CID 83113481
(Z)-2,3-dichloro-N-ethylprop-2-en-1-amine
CID 131438238
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
N-[2-(dimethylcarbamoylamino)ethyl]propanamide
CID 83117545
3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83120613

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea (CID 83120350) is 3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNCC(Cl)=CCl.
What is the InChIKey of 3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea?
The InChIKey is FACZFFYPCNBAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2N3O/c1-13(2)8(14)12-4-3-11-6-7(10)5-9/h5,11H,3-4,6H2,1-2H3,(H,12,14).
What are the key properties of 3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea?
3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea has a molecular weight of 240.13 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83120350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).