3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea

C12H14Cl2N2O2 — CID 111423861

IUPAC3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-2-6-16(7-8-17)12(18)15-10-5-3-4-9(13)11(10)14/h2-5,17H,1,6-8H2,(H,15,18)
InChIKeyFRKDKXZQFMTWIC-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.01
Rot. Bonds5

About 3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea

3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea (PubChem CID 111423861) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
PubChem CID111423861
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-2-6-16(7-8-17)12(18)15-10-5-3-4-9(13)11(10)14/h2-5,17H,1,6-8H2,(H,15,18)
InChIKeyFRKDKXZQFMTWIC-UHFFFAOYSA-N
XLogP3.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423625
3-(2,3-dichlorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-prop-2-enylurea
CID 42760129
3-(4-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423865
1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
CID 111423629
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424052
1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea
CID 3833190
2-[(2,3-dichlorophenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4183757
3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423887
3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890389
3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424077
3-(2-bromo-4-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423941

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea (CID 111423861) is 3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The InChIKey is FRKDKXZQFMTWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-2-6-16(7-8-17)12(18)15-10-5-3-4-9(13)11(10)14/h2-5,17H,1,6-8H2,(H,15,18).
What are the key properties of 3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea?
3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea has a molecular weight of 289.16 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 111423861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).