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

C15H14Cl2N2O — CID 108991555

IUPAC3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
SMILESCCN(C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c1-2-19(11-7-4-3-5-8-11)15(20)18-13-10-6-9-12(16)14(13)17/h3-10H,2H2,1H3,(H,18,20)
InChIKeyXXOJHZJDWNLQBB-UHFFFAOYSA-N
MW309.20 g/mol
LogP5.05
Rot. Bonds3

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

3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea (PubChem CID 108991555) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
PubChem CID108991555
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
SMILESCCN(C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c1-2-19(11-7-4-3-5-8-11)15(20)18-13-10-6-9-12(16)14(13)17/h3-10H,2H2,1H3,(H,18,20)
InChIKeyXXOJHZJDWNLQBB-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

N-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
N-(2,3-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808631
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137
3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea
CID 3539470
3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea
CID 108991523
N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953239
3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea
CID 108897659
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide
CID 109036434
2-[tert-butyl-[(2,3-dichlorophenyl)carbamoyl]amino]acetic acid
CID 79256587

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea?
The IUPAC name of 3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea (CID 108991555) is 3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea is CCN(C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea?
The InChIKey is XXOJHZJDWNLQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-2-19(11-7-4-3-5-8-11)15(20)18-13-10-6-9-12(16)14(13)17/h3-10H,2H2,1H3,(H,18,20).
What are the key properties of 3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea?
3-(2,3-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-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea is sourced from PubChem (CID 108991555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).