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

C9H9Cl2N3O2 — CID 2803907

IUPAC[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea
SMILESCC(=NNC(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)
InChIKeyUFUOEKYHBCFTGW-UHFFFAOYSA-N
MW262.10 g/mol
LogP2.09
Rot. Bonds2

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

[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea (PubChem CID 2803907) has the molecular formula C9H9Cl2N3O2 and a molecular weight of 262.10 g/mol. Its IUPAC name is [1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea.

Molecular Properties

Compound Name[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea
PubChem CID2803907
Molecular FormulaC9H9Cl2N3O2
Molecular Weight262.10 g/mol
Exact Mass261.01
IUPAC Name[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea
SMILESCC(=NNC(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)
InChIKeyUFUOEKYHBCFTGW-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea?
The IUPAC name of [1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea (CID 2803907) is [1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea.
What is the SMILES notation for [1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea?
The canonical SMILES for [1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea is CC(=NNC(N)=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of [1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea?
The InChIKey is UFUOEKYHBCFTGW-UHFFFAOYSA-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).
What are the key properties of [1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea?
[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 [1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]urea is sourced from PubChem (CID 2803907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).