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

C15H12Cl2N4O3 — CID 135527074

IUPAC1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1cc(Cl)ccc1O)N/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C15H12Cl2N4O3/c16-11-1-3-13(22)9(5-11)7-18-20-15(24)21-19-8-10-6-12(17)2-4-14(10)23/h1-8,22-23H,(H2,20,21,24)/b18-7+,19-8+
InChIKeyGVQSCQWJYFUCAD-NDILIQOGSA-N
MW367.19 g/mol
LogP3.07
Rot. Bonds4

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

1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea (PubChem CID 135527074) has the molecular formula C15H12Cl2N4O3 and a molecular weight of 367.19 g/mol. Its IUPAC name is 1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
PubChem CID135527074
Molecular FormulaC15H12Cl2N4O3
Molecular Weight367.19 g/mol
Exact Mass366.03
IUPAC Name1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1cc(Cl)ccc1O)N/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C15H12Cl2N4O3/c16-11-1-3-13(22)9(5-11)7-18-20-15(24)21-19-8-10-6-12(17)2-4-14(10)23/h1-8,22-23H,(H2,20,21,24)/b18-7+,19-8+
InChIKeyGVQSCQWJYFUCAD-NDILIQOGSA-N
XLogP3.07
TPSA106.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.07
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

[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361726
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 155905758
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 166685113
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 728473
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136628097
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3299704
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)propanamide
CID 135606040

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of 1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea (CID 135527074) is 1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for 1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea is O=C(N/N=C/c1cc(Cl)ccc1O)N/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea?
The InChIKey is GVQSCQWJYFUCAD-NDILIQOGSA-N. The full InChI is InChI=1S/C15H12Cl2N4O3/c16-11-1-3-13(22)9(5-11)7-18-20-15(24)21-19-8-10-6-12(17)2-4-14(10)23/h1-8,22-23H,(H2,20,21,24)/b18-7+,19-8+.
What are the key properties of 1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea?
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea has a molecular weight of 367.19 g/mol, XLogP of 3.07, 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)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135527074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).