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

C15H10Cl4N4O3 — CID 135533439

IUPAC1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1O)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H10Cl4N4O3/c16-9-1-7(13(24)11(18)3-9)5-20-22-15(26)23-21-6-8-2-10(17)4-12(19)14(8)25/h1-6,24-25H,(H2,22,23,26)/b20-5+,21-6+
InChIKeyNQVITINMBMVXCA-FKGLALOMSA-N
MW436.08 g/mol
LogP4.38
Rot. Bonds4

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

1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea (PubChem CID 135533439) has the molecular formula C15H10Cl4N4O3 and a molecular weight of 436.08 g/mol. Its IUPAC name is 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
PubChem CID135533439
Molecular FormulaC15H10Cl4N4O3
Molecular Weight436.08 g/mol
Exact Mass433.95
IUPAC Name1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1O)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H10Cl4N4O3/c16-9-1-7(13(24)11(18)3-9)5-20-22-15(26)23-21-6-8-2-10(17)4-12(19)14(8)25/h1-6,24-25H,(H2,22,23,26)/b20-5+,21-6+
InChIKeyNQVITINMBMVXCA-FKGLALOMSA-N
XLogP4.38
TPSA106.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.08
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135438167
2,2'-Bis[(5-chloro-2-hydroxyphenyl)methylene]-carbonic Dihydrazide
CID 135527074
2-[(5-Amino-tetrazol-1-ylimino)-methyl]-4,6-dichloro-phenol
CID 135537508
3,5-Dichloro-2-hydroxybenzaldehyde hydrazone
CID 135445572
(E)-N',N''-Bis((E)-5-chloro-2-hydroxybenzylidene)-2-((Z)-5-chloro-2-hydroxybenzylidene)hydrazine-1-carbohydrazonhydrazide
CID 155905758
2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 135545702
(3,5-Dichloro-2-hydroxy-benzylidene)-hydrazide
CID 135436441
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
CID 135854177
(6E)-2,4-dichloro-6-[[2-[(E)-(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
CID 135418722
2,4-Dichloro-6-[(2-hydroxyethylhydrazinylidene)methyl]phenol
CID 2798151
6-{(1E)-2-[(2-hydroxyethyl)amino]-2-azavinyl}-2,4-dichlorophenol
CID 135445532

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea (CID 135533439) is 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea is O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)N/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
The InChIKey is NQVITINMBMVXCA-FKGLALOMSA-N. The full InChI is InChI=1S/C15H10Cl4N4O3/c16-9-1-7(13(24)11(18)3-9)5-20-22-15(26)23-21-6-8-2-10(17)4-12(19)14(8)25/h1-6,24-25H,(H2,22,23,26)/b20-5+,21-6+.
What are the key properties of 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea?
1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea has a molecular weight of 436.08 g/mol, XLogP of 4.38, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135533439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).