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

C13H10Cl2N2O2 — CID 138755485

IUPAC3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea
SMILESO=C(Nc1cc(Cl)ccc1Cl)N(O)c1ccccc1
InChIInChI=1S/C13H10Cl2N2O2/c14-9-6-7-11(15)12(8-9)16-13(18)17(19)10-4-2-1-3-5-10/h1-8,19H,(H,16,18)
InChIKeyIKYBXBUCXDFZQN-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.42
Rot. Bonds2

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

3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea (PubChem CID 138755485) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea
PubChem CID138755485
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea
SMILESO=C(Nc1cc(Cl)ccc1Cl)N(O)c1ccccc1
InChIInChI=1S/C13H10Cl2N2O2/c14-9-6-7-11(15)12(8-9)16-13(18)17(19)10-4-2-1-3-5-10/h1-8,19H,(H,16,18)
InChIKeyIKYBXBUCXDFZQN-UHFFFAOYSA-N
XLogP4.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137
N-(2,5-dichlorophenyl)-2-(N-methylanilino)acetamide
CID 2685123
N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
CID 51654070
1-(3-aminophenyl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 61296394
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-2-carboxamide
CID 109197716
N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
CID 110688644
1-amino-3-(2,5-dichlorophenyl)-1-(2,2,2-trifluoroethyl)urea
CID 134109501
N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide
CID 109242360
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 126320810
3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
N-(2,5-dichlorophenyl)-3-(dimethylamino)benzamide
CID 690506

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea?
The IUPAC name of 3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea (CID 138755485) is 3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea is O=C(Nc1cc(Cl)ccc1Cl)N(O)c1ccccc1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea?
The InChIKey is IKYBXBUCXDFZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-9-6-7-11(15)12(8-9)16-13(18)17(19)10-4-2-1-3-5-10/h1-8,19H,(H,16,18).
What are the key properties of 3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea?
3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea has a molecular weight of 297.14 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea is sourced from PubChem (CID 138755485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).