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

C8H7Cl2N3O2 — CID 135400270

IUPAC[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1cc(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)/b12-3+
InChIKeySARAKVGXIOTMEN-KGVSQERTSA-N
MW248.07 g/mol
LogP1.70
Rot. Bonds2

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

[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea (PubChem CID 135400270) has the molecular formula C8H7Cl2N3O2 and a molecular weight of 248.07 g/mol. Its IUPAC name is [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
PubChem CID135400270
Molecular FormulaC8H7Cl2N3O2
Molecular Weight248.07 g/mol
Exact Mass246.99
IUPAC Name[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1cc(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)/b12-3+
InChIKeySARAKVGXIOTMEN-KGVSQERTSA-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-[1-(3,5-Dichloro-2-hydroxyphenyl)ethylidene]-1-hydrazinecarboxamide
CID 135520619
5-Chloro-2-hydroxybenzaldehyde thiosemicarbazone
CID 135445342
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135438167
4-[3-[(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]propyl]-1,4-dihydropyrazol-5-one
CID 2803665
2,2'-Bis[(5-chloro-2-hydroxyphenyl)methylene]-carbonic Dihydrazide
CID 135527074
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dimethylpropyl)thiourea
CID 135445523
1-tert-butyl-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea
CID 135452580
2-[(5-Amino-tetrazol-1-ylimino)-methyl]-4,6-dichloro-phenol
CID 135537508
3,5-Dichloro-2-hydroxybenzaldehyde hydrazone
CID 135445572
N1-Ethyl-2-(3,5-dichloro-2-hydroxybenzylidene)hydrazine-1-carbothioamide
CID 135472962
N'',N'''-Bis[(3,5-dichloro-2-hydroxyphenyl)methylene]carbonic dihydrazide
CID 135533439
2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 135545702

Frequently Asked Questions

What is the IUPAC name of [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea (CID 135400270) is [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea is NC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
The InChIKey is SARAKVGXIOTMEN-KGVSQERTSA-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)/b12-3+.
What are the key properties of [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
[(E)-(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 [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135400270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).