[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea

C8H7Cl2N3O2 — CID 793144

IUPAC[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H7Cl2N3O2/c9-5-1-4(3-12-13-8(11)15)7(14)6(10)2-5/h1-3,14H,(H3,11,13,15)
InChIKeySARAKVGXIOTMEN-UHFFFAOYSA-N
MW248.07 g/mol
LogP1.70
Rot. Bonds2

About [(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea

[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea (PubChem CID 793144) has the molecular formula C8H7Cl2N3O2 and a molecular weight of 248.07 g/mol. Its IUPAC name is [(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
PubChem CID793144
Molecular FormulaC8H7Cl2N3O2
Molecular Weight248.07 g/mol
Exact Mass246.99
IUPAC Name[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H7Cl2N3O2/c9-5-1-4(3-12-13-8(11)15)7(14)6(10)2-5/h1-3,14H,(H3,11,13,15)
InChIKeySARAKVGXIOTMEN-UHFFFAOYSA-N
XLogP1.70
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135531713
3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361735
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 615778
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135562319
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136794136
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide
CID 136680564
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 137127853
1-(1-adamantyl)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 135492235
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947
2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 136866501
1-(1-adamantyl)-3-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 136810432

Frequently Asked Questions

What is the IUPAC name of [(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of [(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea (CID 793144) is [(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for [(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea is NC(=O)NN=Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of [(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
The InChIKey is SARAKVGXIOTMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3O2/c9-5-1-4(3-12-13-8(11)15)7(14)6(10)2-5/h1-3,14H,(H3,11,13,15).
What are the key properties of [(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea has a molecular weight of 248.07 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 793144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).