1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea

C15H14BrN3O2 — CID 135557700

IUPAC1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea
SMILESC/C(=N\NC(=O)Nc1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C15H14BrN3O2/c1-10(13-9-11(16)7-8-14(13)20)18-19-15(21)17-12-5-3-2-4-6-12/h2-9,20H,1H3,(H2,17,19,21)/b18-10+
InChIKeyGECJETJPFBPNQD-VCHYOVAHSA-N
MW348.20 g/mol
LogP3.70
Rot. Bonds3

About 1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea

1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea (PubChem CID 135557700) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea
PubChem CID135557700
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea
SMILESC/C(=N\NC(=O)Nc1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C15H14BrN3O2/c1-10(13-9-11(16)7-8-14(13)20)18-19-15(21)17-12-5-3-2-4-6-12/h2-9,20H,1H3,(H2,17,19,21)/b18-10+
InChIKeyGECJETJPFBPNQD-VCHYOVAHSA-N
XLogP3.70
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.70
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

1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135643114
2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 154810516
1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
4-amino-N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135622325
1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904
(3R)-N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-1,1-dioxothiolane-3-carboxamide
CID 135817840
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 9241529
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 135734608
5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135706744
[(2R)-1-anilino-1-oxopropan-2-yl] 5-bromo-2-hydroxybenzoate
CID 7365616

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea?
The IUPAC name of 1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea (CID 135557700) is 1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea is C/C(=N\NC(=O)Nc1ccccc1)c1cc(Br)ccc1O.
What is the InChIKey of 1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea?
The InChIKey is GECJETJPFBPNQD-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-10(13-9-11(16)7-8-14(13)20)18-19-15(21)17-12-5-3-2-4-6-12/h2-9,20H,1H3,(H2,17,19,21)/b18-10+.
What are the key properties of 1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea?
1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea has a molecular weight of 348.20 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea is sourced from PubChem (CID 135557700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).