1-(2,4-dichlorophenyl)-3-hydroxyurea

C7H6Cl2N2O2 — CID 4295489

IUPAC1-(2,4-dichlorophenyl)-3-hydroxyurea
SMILESO=C(NO)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl2N2O2/c8-4-1-2-6(5(9)3-4)10-7(12)11-13/h1-3,13H,(H2,10,11,12)
InChIKeyDJPGEWSKXZZHCC-UHFFFAOYSA-N
MW221.04 g/mol
LogP2.50
Rot. Bonds1

About 1-(2,4-dichlorophenyl)-3-hydroxyurea

1-(2,4-dichlorophenyl)-3-hydroxyurea (PubChem CID 4295489) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-hydroxyurea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-hydroxyurea
PubChem CID4295489
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Name1-(2,4-dichlorophenyl)-3-hydroxyurea
SMILESO=C(NO)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl2N2O2/c8-4-1-2-6(5(9)3-4)10-7(12)11-13/h1-3,13H,(H2,10,11,12)
InChIKeyDJPGEWSKXZZHCC-UHFFFAOYSA-N
XLogP2.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 52.50
H-Bond Donors ≤ 53
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

1-(2,4-dichlorophenyl)-3-dichlorophosphorylurea
CID 91621924
1-(2,4-dichlorophenyl)-3-ethenylurea
CID 108909057
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
N-(2,4-dichlorophenyl)propanamide
CID 923083
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea
CID 108896387
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
1-(cyclohexylidenemethyl)-3-(2,4-dichlorophenyl)urea
CID 108912397
2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
CID 113237204
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-hydroxyurea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-hydroxyurea (CID 4295489) is 1-(2,4-dichlorophenyl)-3-hydroxyurea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-hydroxyurea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-hydroxyurea is O=C(NO)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-hydroxyurea?
The InChIKey is DJPGEWSKXZZHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c8-4-1-2-6(5(9)3-4)10-7(12)11-13/h1-3,13H,(H2,10,11,12).
What are the key properties of 1-(2,4-dichlorophenyl)-3-hydroxyurea?
1-(2,4-dichlorophenyl)-3-hydroxyurea has a molecular weight of 221.04 g/mol, XLogP of 2.50, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-hydroxyurea is sourced from PubChem (CID 4295489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).