1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea

C14H12BrN3O2 — CID 135436225

IUPAC1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3O2/c15-11-5-7-12(8-6-11)17-14(20)18-16-9-10-3-1-2-4-13(10)19/h1-9,19H,(H2,17,18,20)/b16-9+
InChIKeyWZEAROSPGBVQDD-CXUHLZMHSA-N
MW334.17 g/mol
LogP3.31
Rot. Bonds3

About 1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea

1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea (PubChem CID 135436225) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
PubChem CID135436225
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3O2/c15-11-5-7-12(8-6-11)17-14(20)18-16-9-10-3-1-2-4-13(10)19/h1-9,19H,(H2,17,18,20)/b16-9+
InChIKeyWZEAROSPGBVQDD-CXUHLZMHSA-N
XLogP3.31
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.31
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-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137250213
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785
1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea
CID 5415699
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
CID 135490420
N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
CID 3506666
(2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 136705939
2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135782013
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-(trifluoromethyl)phenyl]urea
CID 137303958
N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide
CID 3672050
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea (CID 135436225) is 1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea is O=C(N/N=C/c1ccccc1O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The InChIKey is WZEAROSPGBVQDD-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-11-5-7-12(8-6-11)17-14(20)18-16-9-10-3-1-2-4-13(10)19/h1-9,19H,(H2,17,18,20)/b16-9+.
What are the key properties of 1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea has a molecular weight of 334.17 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135436225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).