3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea

C15H14Cl2N2O — CID 108886137

IUPAC3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
SMILESCCN(C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c1-2-19(12-6-4-3-5-7-12)15(20)18-14-10-11(16)8-9-13(14)17/h3-10H,2H2,1H3,(H,18,20)
InChIKeyWJWLARAFJDDONI-UHFFFAOYSA-N
MW309.20 g/mol
LogP5.05
Rot. Bonds3

About 3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea

3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea (PubChem CID 108886137) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
PubChem CID108886137
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
SMILESCCN(C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c1-2-19(12-6-4-3-5-7-12)15(20)18-14-10-11(16)8-9-13(14)17/h3-10H,2H2,1H3,(H,18,20)
InChIKeyWJWLARAFJDDONI-UHFFFAOYSA-N
XLogP5.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.20
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea
CID 138755485
3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555
1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea
CID 51062904
N-(2,5-dichlorophenyl)-2-(N-methylanilino)acetamide
CID 2685123
N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
CID 108500995
N-(2,5-dichlorophenyl)-N',N'-diethyloxamide
CID 39370052
N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
CID 51654070
3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea
CID 108897659
N-(2,5-dichlorophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108500926
methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate
CID 54998078
1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 61296394

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea?
The IUPAC name of 3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea (CID 108886137) is 3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea is CCN(C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea?
The InChIKey is WJWLARAFJDDONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-2-19(12-6-4-3-5-7-12)15(20)18-14-10-11(16)8-9-13(14)17/h3-10H,2H2,1H3,(H,18,20).
What are the key properties of 3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea?
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea has a molecular weight of 309.20 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea is sourced from PubChem (CID 108886137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).