[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea

C9H9Cl2N3O2 — CID 135520619

IUPAC[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H9Cl2N3O2/c1-4(13-14-9(12)16)6-2-5(10)3-7(11)8(6)15/h2-3,15H,1H3,(H3,12,14,16)/b13-4+
InChIKeyUFUOEKYHBCFTGW-YIXHJXPBSA-N
MW262.10 g/mol
LogP2.09
Rot. Bonds2

About [(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea

[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea (PubChem CID 135520619) has the molecular formula C9H9Cl2N3O2 and a molecular weight of 262.10 g/mol. Its IUPAC name is [(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea.

Molecular Properties

Compound Name[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea
PubChem CID135520619
Molecular FormulaC9H9Cl2N3O2
Molecular Weight262.10 g/mol
Exact Mass261.01
IUPAC Name[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C9H9Cl2N3O2/c1-4(13-14-9(12)16)6-2-5(10)3-7(11)8(6)15/h2-3,15H,1H3,(H3,12,14,16)/b13-4+
InChIKeyUFUOEKYHBCFTGW-YIXHJXPBSA-N
XLogP2.09
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 52.09
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

Ethanone, 1-(3,5-dichloro-2-hydroxyphenyl)-, oxime
CID 135520614
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135438167
N'',N'''-Bis[(3,5-dichloro-2-hydroxyphenyl)methylene]carbonic dihydrazide
CID 135533439
1-tert-butyl-3-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]thiourea
CID 135846496
2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol
CID 135445489
[1-(3,5-Dichloro-2-hydroxyphenyl)ethylideneamino]urea
CID 2803907
N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]pentanehydrazide
CID 135509647
[(Z)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea
CID 135854143
Hydrazinecarbothioamide, 2-[(3,5-dichloro-2-hydroxyphenyl)methylene]-
CID 698582
ethyl N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamate
CID 136750083
2,4-dichloro-6-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 2803899
3,5-Dichloro-2-hydroxybenzaldehyde thiosemicarbazone
CID 135472458

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea?
The IUPAC name of [(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea (CID 135520619) is [(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea.
What is the SMILES notation for [(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea?
The canonical SMILES for [(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea is C/C(=N\NC(N)=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of [(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea?
The InChIKey is UFUOEKYHBCFTGW-YIXHJXPBSA-N. The full InChI is InChI=1S/C9H9Cl2N3O2/c1-4(13-14-9(12)16)6-2-5(10)3-7(11)8(6)15/h2-3,15H,1H3,(H3,12,14,16)/b13-4+.
What are the key properties of [(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea?
[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea has a molecular weight of 262.10 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea is sourced from PubChem (CID 135520619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).