1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea

C13H16Cl2N2O2 — CID 103769234

IUPAC1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
SMILESC=C(C)COCCNC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-9(2)8-19-4-3-16-13(18)17-12-6-10(14)5-11(15)7-12/h5-7H,1,3-4,8H2,2H3,(H2,16,17,18)
InChIKeyYAFOWBDUQWQOFR-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.71
Rot. Bonds6

About 1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea

1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea (PubChem CID 103769234) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
PubChem CID103769234
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
SMILESC=C(C)COCCNC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-9(2)8-19-4-3-16-13(18)17-12-6-10(14)5-11(15)7-12/h5-7H,1,3-4,8H2,2H3,(H2,16,17,18)
InChIKeyYAFOWBDUQWQOFR-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469348
3-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469487
2-hydroxy-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469316
3-chloro-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469438
2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699674
3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid
CID 28511134
1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 113258094
1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea
CID 107143334
3-[(3,5-dichlorophenyl)carbamoylamino]propanamide
CID 56814254
5-methyl-3-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]-1H-pyrrole-2-carboxylic acid
CID 114469346
1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea
CID 108882902
2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699924

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea (CID 103769234) is 1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea is C=C(C)COCCNC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
The InChIKey is YAFOWBDUQWQOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-9(2)8-19-4-3-16-13(18)17-12-6-10(14)5-11(15)7-12/h5-7H,1,3-4,8H2,2H3,(H2,16,17,18).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea has a molecular weight of 303.19 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea is sourced from PubChem (CID 103769234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).